3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide

C22H21FN4O3 — CID 154055783

IUPAC3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1
InChIInChI=1S/C22H21FN4O3/c1-13(28)25-17-7-8-18(21(29)10-17)19-11-20(15-5-6-15)27(26-19)22(30)24-12-14-3-2-4-16(23)9-14/h2-4,7-11,15,29H,5-6,12H2,1H3,(H,24,30)(H,25,28)
InChIKeyAWZGOCZEZMGWEV-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.99
Rot. Bonds5

About 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide

3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide (PubChem CID 154055783) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
PubChem CID154055783
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1
InChIInChI=1S/C22H21FN4O3/c1-13(28)25-17-7-8-18(21(29)10-17)19-11-20(15-5-6-15)27(26-19)22(30)24-12-14-3-2-4-16(23)9-14/h2-4,7-11,15,29H,5-6,12H2,1H3,(H,24,30)(H,25,28)
InChIKeyAWZGOCZEZMGWEV-UHFFFAOYSA-N
XLogP3.99
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055258
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide
CID 154054719
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
N-[4-[5-cyclobutyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055507
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 154055134
3-(5-acetamido-2-hydroxyphenyl)-5-cyclopentyl-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 154054774
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazole-1-carboxamide
CID 154055074
5-cyclopropyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(4-fluorophenyl)methyl]pyrazole-1-carboxamide
CID 135529387
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056033
5-cyclopentyl-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]-N-[(3-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154055837
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
CID 154055808

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide (CID 154055783) is 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide is CC(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCc3cccc(F)c3)n2)c(O)c1.
What is the InChIKey of 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is AWZGOCZEZMGWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-13(28)25-17-7-8-18(21(29)10-17)19-11-20(15-5-6-15)27(26-19)22(30)24-12-14-3-2-4-16(23)9-14/h2-4,7-11,15,29H,5-6,12H2,1H3,(H,24,30)(H,25,28).
What are the key properties of 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide?
3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 408.43 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-2-hydroxyphenyl)-5-cyclopropyl-N-[(3-fluorophenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 154055783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).