5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide

C29H27FN4O4 — CID 154056139

IUPAC5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1
InChIInChI=1S/C29H27FN4O4/c1-38-27-12-5-3-10-22(27)28(36)32-20-13-14-21(26(35)15-20)24-16-25(18-8-6-9-18)34(33-24)29(37)31-17-19-7-2-4-11-23(19)30/h2-5,7,10-16,18,35H,6,8-9,17H2,1H3,(H,31,37)(H,32,36)
InChIKeyBJSBPZGHNYVKKK-UHFFFAOYSA-N
MW514.56 g/mol
LogP5.68
Rot. Bonds7

About 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide

5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide (PubChem CID 154056139) has the molecular formula C29H27FN4O4 and a molecular weight of 514.56 g/mol. Its IUPAC name is 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
PubChem CID154056139
Molecular FormulaC29H27FN4O4
Molecular Weight514.56 g/mol
Exact Mass514.20
IUPAC Name5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1
InChIInChI=1S/C29H27FN4O4/c1-38-27-12-5-3-10-22(27)28(36)32-20-13-14-21(26(35)15-20)24-16-25(18-8-6-9-18)34(33-24)29(37)31-17-19-7-2-4-11-23(19)30/h2-5,7,10-16,18,35H,6,8-9,17H2,1H3,(H,31,37)(H,32,36)
InChIKeyBJSBPZGHNYVKKK-UHFFFAOYSA-N
XLogP5.68
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.56
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyclopentyl-N-[(4-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154056129
5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056141
2-chloro-N-[4-[5-cyclobutyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055351
5-cyclobutyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055937
5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055245
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055131
5-cyclopropyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(2-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055856
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055134
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055130
5-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055328
2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055358
N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054273

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide (CID 154056139) is 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide is COc1ccccc1C(=O)Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c(O)c1.
What is the InChIKey of 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide?
The InChIKey is BJSBPZGHNYVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O4/c1-38-27-12-5-3-10-22(27)28(36)32-20-13-14-21(26(35)15-20)24-16-25(18-8-6-9-18)34(33-24)29(37)31-17-19-7-2-4-11-23(19)30/h2-5,7,10-16,18,35H,6,8-9,17H2,1H3,(H,31,37)(H,32,36).
What are the key properties of 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide?
5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[(2-fluorophenyl)methyl]-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154056139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).