5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide

C23H23FN4O3 — CID 154054719

IUPAC5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c1
InChIInChI=1S/C23H23FN4O3/c1-2-22(30)26-17-8-9-21(29)18(11-17)19-12-20(15-6-7-15)28(27-19)23(31)25-13-14-4-3-5-16(24)10-14/h3-5,8-12,15,29H,2,6-7,13H2,1H3,(H,25,31)(H,26,30)
InChIKeyQVELAXIZUZBJSE-UHFFFAOYSA-N
MW422.46 g/mol
LogP4.38
Rot. Bonds6

About 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide

5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide (PubChem CID 154054719) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide
PubChem CID154054719
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c1
InChIInChI=1S/C23H23FN4O3/c1-2-22(30)26-17-8-9-21(29)18(11-17)19-12-20(15-6-7-15)28(27-19)23(31)25-13-14-4-3-5-16(24)10-14/h3-5,8-12,15,29H,2,6-7,13H2,1H3,(H,25,31)(H,26,30)
InChIKeyQVELAXIZUZBJSE-UHFFFAOYSA-N
XLogP4.38
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055783
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055134
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055074
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055258
5-cyclopropyl-3-[5-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054426
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774
5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055737
5-cyclopentyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055933
5-cyclobutyl-3-[4-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154055947
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055045
N-benzyl-5-cyclopentyl-3-[5-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054851
5-cyclopropyl-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055048

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide (CID 154054719) is 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide is CCC(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c1.
What is the InChIKey of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide?
The InChIKey is QVELAXIZUZBJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-2-22(30)26-17-8-9-21(29)18(11-17)19-12-20(15-6-7-15)28(27-19)23(31)25-13-14-4-3-5-16(24)10-14/h3-5,8-12,15,29H,2,6-7,13H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide?
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 4.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154054719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).