3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide

C23H23ClN4O3 — CID 154055223

IUPAC3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccccc3Cl)ccc2O)cc1C1CC1
InChIInChI=1S/C23H23ClN4O3/c1-13(2)25-23(31)28-20(14-7-8-14)12-19(27-28)17-11-15(9-10-21(17)29)26-22(30)16-5-3-4-6-18(16)24/h3-6,9-14,29H,7-8H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyRUQWVOXPNRFCHB-UHFFFAOYSA-N
MW438.92 g/mol
LogP5.00
Rot. Bonds5

About 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide

3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 154055223) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID154055223
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccccc3Cl)ccc2O)cc1C1CC1
InChIInChI=1S/C23H23ClN4O3/c1-13(2)25-23(31)28-20(14-7-8-14)12-19(27-28)17-11-15(9-10-21(17)29)26-22(30)16-5-3-4-6-18(16)24/h3-6,9-14,29H,7-8H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyRUQWVOXPNRFCHB-UHFFFAOYSA-N
XLogP5.00
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.92
LogP ≤ 55.00
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

5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055159
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 135493282
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
5-cyclobutyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154054760
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
3-[5-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-N-[(2-chlorophenyl)methyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154054997
5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055712
N-[(2-chlorophenyl)methyl]-5-cyclopropyl-3-[2-hydroxy-5-(thiophene-2-carbonylamino)phenyl]pyrazole-1-carboxamide
CID 154054604
5-cyclopropyl-N-ethyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 136636114
N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide
CID 154054734
N-[(2-chlorophenyl)methyl]-5-cyclobutyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154054992

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide (CID 154055223) is 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide is CC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccccc3Cl)ccc2O)cc1C1CC1.
What is the InChIKey of 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is RUQWVOXPNRFCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-13(2)25-23(31)28-20(14-7-8-14)12-19(27-28)17-11-15(9-10-21(17)29)26-22(30)16-5-3-4-6-18(16)24/h3-6,9-14,29H,7-8H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide?
3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 5.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 154055223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).