5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide

C26H31N5O4 — CID 129248254

IUPAC5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCC(O)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C
InChIInChI=1S/C26H31N5O4/c1-15-13-16(23-22(25(28)33)24(27)31(30-23)17-7-3-4-8-17)11-12-18(15)20(32)14-29-26(34)19-9-5-6-10-21(19)35-2/h5-6,9-13,17,20,32H,3-4,7-8,14,27H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyZWTHIAKXDNKPOW-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.13
Rot. Bonds8

About 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide

5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide (PubChem CID 129248254) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide
PubChem CID129248254
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide
SMILESCOc1ccccc1C(=O)NCC(O)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C
InChIInChI=1S/C26H31N5O4/c1-15-13-16(23-22(25(28)33)24(27)31(30-23)17-7-3-4-8-17)11-12-18(15)20(32)14-29-26(34)19-9-5-6-10-21(19)35-2/h5-6,9-13,17,20,32H,3-4,7-8,14,27H2,1-2H3,(H2,28,33)(H,29,34)
InChIKeyZWTHIAKXDNKPOW-UHFFFAOYSA-N
XLogP3.13
TPSA145.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
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;formaldehyde
CID 145332772
5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 157102700
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;ethane;toluene
CID 145332683
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
CID 157405663
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
1-cyclopentyl-N-[(2,4-dimethoxyphenyl)methyl]-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 129248444

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide (CID 129248254) is 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide is COc1ccccc1C(=O)NCC(O)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C.
What is the InChIKey of 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide?
The InChIKey is ZWTHIAKXDNKPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-15-13-16(23-22(25(28)33)24(27)31(30-23)17-7-3-4-8-17)11-12-18(15)20(32)14-29-26(34)19-9-5-6-10-21(19)35-2/h5-6,9-13,17,20,32H,3-4,7-8,14,27H2,1-2H3,(H2,28,33)(H,29,34).
What are the key properties of 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide?
5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.13, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopentyl-3-[4-[1-hydroxy-2-[(2-methoxybenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129248254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).