5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

C102H96N22O8 — CID 157331471

IUPAC5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)c1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3Cc4ccccc4C3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C28H27N5O2.C26H25N5O2.2C24H22N6O2/c1-17-6-2-5-9-23(17)28(35)31-16-18-10-12-19(13-11-18)25-24(27(30)34)26(29)33(32-25)22-14-20-7-3-4-8-21(20)15-22;1-16-6-5-8-20(14-16)31-24(27)22(25(28)32)23(30-31)19-12-10-18(11-13-19)15-29-26(33)21-9-4-3-7-17(21)2;1-15-6-2-3-7-18(15)24(32)28-14-16-9-11-17(12-10-16)21-20(23(26)31)22(25)30(29-21)19-8-4-5-13-27-19;1-15-5-2-3-7-19(15)24(32)28-13-16-8-10-17(11-9-16)21-20(23(26)31)22(25)30(29-21)18-6-4-12-27-14-18/h2-13,22H,14-16,29H2,1H3,(H2,30,34)(H,31,35);3-14H,15,27H2,1-2H3,(H2,28,32)(H,29,33);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32);2-12,14H,13,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyBFIIGVGUONLQLO-UHFFFAOYSA-N
MW1758.04 g/mol
LogP13.28
Rot. Bonds24

About 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 157331471) has the molecular formula C102H96N22O8 and a molecular weight of 1758.04 g/mol. Its IUPAC name is 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID157331471
Molecular FormulaC102H96N22O8
Molecular Weight1758.04 g/mol
Exact Mass1756.78
IUPAC Name5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)c1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3Cc4ccccc4C3)c(N)c2C(N)=O)cc1
InChIInChI=1S/C28H27N5O2.C26H25N5O2.2C24H22N6O2/c1-17-6-2-5-9-23(17)28(35)31-16-18-10-12-19(13-11-18)25-24(27(30)34)26(29)33(32-25)22-14-20-7-3-4-8-21(20)15-22;1-16-6-5-8-20(14-16)31-24(27)22(25(28)32)23(30-31)19-12-10-18(11-13-19)15-29-26(33)21-9-4-3-7-17(21)2;1-15-6-2-3-7-18(15)24(32)28-14-16-9-11-17(12-10-16)21-20(23(26)31)22(25)30(29-21)19-8-4-5-13-27-19;1-15-5-2-3-7-19(15)24(32)28-13-16-8-10-17(11-9-16)21-20(23(26)31)22(25)30(29-21)18-6-4-12-27-14-18/h2-13,22H,14-16,29H2,1H3,(H2,30,34)(H,31,35);3-14H,15,27H2,1-2H3,(H2,28,32)(H,29,33);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32);2-12,14H,13,25H2,1H3,(H2,26,31)(H,28,32)
InChIKeyBFIIGVGUONLQLO-UHFFFAOYSA-N
XLogP13.28
TPSA489.90 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.04
LogP ≤ 513.28
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 157331471) is 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is Cc1cccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)c1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccnc3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3Cc4ccccc4C3)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is BFIIGVGUONLQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2.C26H25N5O2.2C24H22N6O2/c1-17-6-2-5-9-23(17)28(35)31-16-18-10-12-19(13-11-18)25-24(27(30)34)26(29)33(32-25)22-14-20-7-3-4-8-21(20)15-22;1-16-6-5-8-20(14-16)31-24(27)22(25(28)32)23(30-31)19-12-10-18(11-13-19)15-29-26(33)21-9-4-3-7-17(21)2;1-15-6-2-3-7-18(15)24(32)28-14-16-9-11-17(12-10-16)21-20(23(26)31)22(25)30(29-21)19-8-4-5-13-27-19;1-15-5-2-3-7-19(15)24(32)28-13-16-8-10-17(11-9-16)21-20(23(26)31)22(25)30(29-21)18-6-4-12-27-14-18/h2-13,22H,14-16,29H2,1H3,(H2,30,34)(H,31,35);3-14H,15,27H2,1-2H3,(H2,28,32)(H,29,33);2-13H,14,25H2,1H3,(H2,26,31)(H,28,32);2-12,14H,13,25H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 1758.04 g/mol, XLogP of 13.28, 24 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dihydro-1H-inden-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(3-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 157331471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).