5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide

C21H28N4O3 — CID 154055712

IUPAC5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NC(C)C)n2)c(O)c1
InChIInChI=1S/C21H28N4O3/c1-4-20(27)23-15-9-10-16(19(26)11-15)17-12-18(14-7-5-6-8-14)25(24-17)21(28)22-13(2)3/h9-14,26H,4-8H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyAYNLAGAQEVXSPY-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.23
Rot. Bonds5

About 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide

5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide (PubChem CID 154055712) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
PubChem CID154055712
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NC(C)C)n2)c(O)c1
InChIInChI=1S/C21H28N4O3/c1-4-20(27)23-15-9-10-16(19(26)11-15)17-12-18(14-7-5-6-8-14)25(24-17)21(28)22-13(2)3/h9-14,26H,4-8H2,1-3H3,(H,22,28)(H,23,27)
InChIKeyAYNLAGAQEVXSPY-UHFFFAOYSA-N
XLogP4.23
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclobutyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154054760
3-(4-acetamido-2-hydroxyphenyl)-N-butan-2-yl-5-cyclobutylpyrazole-1-carboxamide
CID 154055774
5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055737
N-butan-2-yl-5-cyclopentyl-3-[2-hydroxy-5-(3-methylbutanoylamino)phenyl]pyrazole-1-carboxamide
CID 154054734
5-cyclobutyl-3-[4-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 135493282
5-cyclopentyl-3-[5-[(2,6-dichlorobenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055159
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055006
N-benzyl-5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]pyrazole-1-carboxamide
CID 154055808
5-cyclopentyl-3-[2-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055874
3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclopropyl-N-propan-2-ylpyrazole-1-carboxamide
CID 154055223
5-cyclopentyl-3-[2-hydroxy-4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]-N-propylpyrazole-1-carboxamide
CID 154055240
5-cyclopentyl-3-[2-hydroxy-4-(2-methylpropanoylamino)phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154055801

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The IUPAC name of 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide (CID 154055712) is 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide is CCC(=O)Nc1ccc(-c2cc(C3CCCC3)n(C(=O)NC(C)C)n2)c(O)c1.
What is the InChIKey of 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide?
The InChIKey is AYNLAGAQEVXSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-4-20(27)23-15-9-10-16(19(26)11-15)17-12-18(14-7-5-6-8-14)25(24-17)21(28)22-13(2)3/h9-14,26H,4-8H2,1-3H3,(H,22,28)(H,23,27).
What are the key properties of 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide?
5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 154055712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).