5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide

C100H116N20O12 — CID 159918381

IUPAC5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(C3CC(C)(C)OC3(C)C)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC(C)C3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C27H33N5O3.2C25H29N5O3.C23H25N5O3/c1-16-8-6-7-9-19(16)25(34)30-15-17-10-12-18(13-11-17)22-21(24(29)33)23(28)32(31-22)20-14-26(2,3)35-27(20,4)5;1-15-5-3-4-6-19(15)25(32)28-13-17-7-9-18(10-8-17)22-21(24(27)31)23(26)30(29-22)20-11-12-33-14-16(20)2;1-15-5-3-4-6-20(15)25(32)28-14-17-7-9-18(10-8-17)22-21(24(27)31)23(26)30(29-22)19-11-12-33-16(2)13-19;1-14-4-2-3-5-18(14)23(30)26-12-15-6-8-16(9-7-15)20-19(22(25)29)21(24)28(27-20)17-10-11-31-13-17/h6-13,20H,14-15,28H2,1-5H3,(H2,29,33)(H,30,34);3-10,16,20H,11-14,26H2,1-2H3,(H2,27,31)(H,28,32);3-10,16,19H,11-14,26H2,1-2H3,(H2,27,31)(H,28,32);2-9,17H,10-13,24H2,1H3,(H2,25,29)(H,26,30)
InChIKeyNYBSYHHATOLLMD-UHFFFAOYSA-N
MW1790.16 g/mol
LogP12.70
Rot. Bonds24

About 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide

5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 159918381) has the molecular formula C100H116N20O12 and a molecular weight of 1790.16 g/mol. Its IUPAC name is 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide
PubChem CID159918381
Molecular FormulaC100H116N20O12
Molecular Weight1790.16 g/mol
Exact Mass1788.91
IUPAC Name5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1ccccc1C(=O)NCc1ccc(-c2nn(C3CC(C)(C)OC3(C)C)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC(C)C3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C27H33N5O3.2C25H29N5O3.C23H25N5O3/c1-16-8-6-7-9-19(16)25(34)30-15-17-10-12-18(13-11-17)22-21(24(29)33)23(28)32(31-22)20-14-26(2,3)35-27(20,4)5;1-15-5-3-4-6-19(15)25(32)28-13-17-7-9-18(10-8-17)22-21(24(27)31)23(26)30(29-22)20-11-12-33-14-16(20)2;1-15-5-3-4-6-20(15)25(32)28-14-17-7-9-18(10-8-17)22-21(24(27)31)23(26)30(29-22)19-11-12-33-16(2)13-19;1-14-4-2-3-5-18(14)23(30)26-12-15-6-8-16(9-7-15)20-19(22(25)29)21(24)28(27-20)17-10-11-31-13-17/h6-13,20H,14-15,28H2,1-5H3,(H2,29,33)(H,30,34);3-10,16,20H,11-14,26H2,1-2H3,(H2,27,31)(H,28,32);3-10,16,19H,11-14,26H2,1-2H3,(H2,27,31)(H,28,32);2-9,17H,10-13,24H2,1H3,(H2,25,29)(H,26,30)
InChIKeyNYBSYHHATOLLMD-UHFFFAOYSA-N
XLogP12.70
TPSA501.04 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001790.16
LogP ≤ 512.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide with MolForge

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Related Compounds

5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;ethane;toluene
CID 145332683
5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161467433
5-amino-1-cyclopentyl-3-[2-methyl-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157183574
5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 157183576
5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157084318
5-amino-1-(2-hydroxyethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 147719984
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S,5R)-1-methyl-3-bicyclo[3.1.0]hexanyl]pyrazole-4-carboxamide
CID 163472130
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-5-(methylamino)-1-(oxolan-3-yl)pyrazole-4-carboxamide;prop-1-ene
CID 145332734

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide (CID 159918381) is 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide is Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CC(C)(C)OC3(C)C)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC(C)C3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3C)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is NYBSYHHATOLLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3.2C25H29N5O3.C23H25N5O3/c1-16-8-6-7-9-19(16)25(34)30-15-17-10-12-18(13-11-17)22-21(24(29)33)23(28)32(31-22)20-14-26(2,3)35-27(20,4)5;1-15-5-3-4-6-19(15)25(32)28-13-17-7-9-18(10-8-17)22-21(24(27)31)23(26)30(29-22)20-11-12-33-14-16(20)2;1-15-5-3-4-6-20(15)25(32)28-14-17-7-9-18(10-8-17)22-21(24(27)31)23(26)30(29-22)19-11-12-33-16(2)13-19;1-14-4-2-3-5-18(14)23(30)26-12-15-6-8-16(9-7-15)20-19(22(25)29)21(24)28(27-20)17-10-11-31-13-17/h6-13,20H,14-15,28H2,1-5H3,(H2,29,33)(H,30,34);3-10,16,20H,11-14,26H2,1-2H3,(H2,27,31)(H,28,32);3-10,16,19H,11-14,26H2,1-2H3,(H2,27,31)(H,28,32);2-9,17H,10-13,24H2,1H3,(H2,25,29)(H,26,30).
What are the key properties of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide?
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 1790.16 g/mol, XLogP of 12.70, 24 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methyloxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 159918381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).