4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

C74H81N15O7S — CID 164966091

IUPAC4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(C(=O)NCc2ccc(-n3nc(-c4cccs4)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C4CCCC4)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C4CCCOC4)c(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C25H29N5O3.C25H29N5O2.C24H23N5O2S/c1-15-5-6-16(2)20(12-15)25(32)28-13-17-7-9-19(10-8-17)30-23(24(27)31)21(26)22(29-30)18-4-3-11-33-14-18;1-15-7-8-16(2)20(13-15)25(32)28-14-17-9-11-19(12-10-17)30-23(24(27)31)21(26)22(29-30)18-5-3-4-6-18;1-14-5-6-15(2)18(12-14)24(31)27-13-16-7-9-17(10-8-16)29-22(23(26)30)20(25)21(28-29)19-4-3-11-32-19/h5-10,12,18H,3-4,11,13-14,26H2,1-2H3,(H2,27,31)(H,28,32);7-13,18H,3-6,14,26H2,1-2H3,(H2,27,31)(H,28,32);3-12H,13,25H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyCMOCHIOCJXSQII-UHFFFAOYSA-N
MW1324.63 g/mol
LogP10.58
Rot. Bonds18

About 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide

4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 164966091) has the molecular formula C74H81N15O7S and a molecular weight of 1324.63 g/mol. Its IUPAC name is 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID164966091
Molecular FormulaC74H81N15O7S
Molecular Weight1324.63 g/mol
Exact Mass1323.62
IUPAC Name4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(C)c(C(=O)NCc2ccc(-n3nc(-c4cccs4)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C4CCCC4)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C4CCCOC4)c(N)c3C(N)=O)cc2)c1
InChIInChI=1S/C25H29N5O3.C25H29N5O2.C24H23N5O2S/c1-15-5-6-16(2)20(12-15)25(32)28-13-17-7-9-19(10-8-17)30-23(24(27)31)21(26)22(29-30)18-4-3-11-33-14-18;1-15-7-8-16(2)20(13-15)25(32)28-14-17-9-11-19(12-10-17)30-23(24(27)31)21(26)22(29-30)18-5-3-4-6-18;1-14-5-6-15(2)18(12-14)24(31)27-13-16-7-9-17(10-8-16)29-22(23(26)30)20(25)21(28-29)19-4-3-11-32-19/h5-10,12,18H,3-4,11,13-14,26H2,1-2H3,(H2,27,31)(H,28,32);7-13,18H,3-6,14,26H2,1-2H3,(H2,27,31)(H,28,32);3-12H,13,25H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyCMOCHIOCJXSQII-UHFFFAOYSA-N
XLogP10.58
TPSA357.32 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001324.63
LogP ≤ 510.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide with MolForge

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Related Compounds

4-amino-3-(4,4-difluorocyclohexyl)-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 164996421
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide
CID 165036856
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(4-hydroxycyclohexyl)pyrazole-5-carboxamide;methane
CID 164992271
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-(oxolan-3-yl)pyrazole-5-carboxamide
CID 164784429
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 165037096
4-amino-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxylic acid
CID 164784428
4-amino-3-cyclopentyl-1-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-5-carboxylic acid
CID 164784378
4-amino-1-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164960405
2-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
CID 164954047
5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
CID 157405663
N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 46384026
2-[4-(3-chlorophenyl)-1-(4-methylphenyl)-7-oxo-3-thiophen-2-yl-4H-pyrazolo[5,4-e][1,4]thiazepin-8-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 71959552

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 164966091) is 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(-c4cccs4)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C4CCCC4)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C4CCCOC4)c(N)c3C(N)=O)cc2)c1.
What is the InChIKey of 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is CMOCHIOCJXSQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3.C25H29N5O2.C24H23N5O2S/c1-15-5-6-16(2)20(12-15)25(32)28-13-17-7-9-19(10-8-17)30-23(24(27)31)21(26)22(29-30)18-4-3-11-33-14-18;1-15-7-8-16(2)20(13-15)25(32)28-14-17-9-11-19(12-10-17)30-23(24(27)31)21(26)22(29-30)18-5-3-4-6-18;1-14-5-6-15(2)18(12-14)24(31)27-13-16-7-9-17(10-8-16)29-22(23(26)30)20(25)21(28-29)19-4-3-11-32-19/h5-10,12,18H,3-4,11,13-14,26H2,1-2H3,(H2,27,31)(H,28,32);7-13,18H,3-6,14,26H2,1-2H3,(H2,27,31)(H,28,32);3-12H,13,25H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 1324.63 g/mol, XLogP of 10.58, 18 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopentyl-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(oxan-3-yl)pyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 164966091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).