5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

C24H26N4O3 — CID 154055737

IUPAC5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C24H26N4O3/c1-2-23(30)26-18-10-11-19(22(29)14-18)20-15-21(17-8-9-17)28(27-20)24(31)25-13-12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17,29H,2,8-9,12-13H2,1H3,(H,25,31)(H,26,30)
InChIKeyGOANEGQFBNPSMM-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.28
Rot. Bonds7

About 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide

5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (PubChem CID 154055737) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
PubChem CID154055737
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
SMILESCCC(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1
InChIInChI=1S/C24H26N4O3/c1-2-23(30)26-18-10-11-19(22(29)14-18)20-15-21(17-8-9-17)28(27-20)24(31)25-13-12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17,29H,2,8-9,12-13H2,1H3,(H,25,31)(H,26,30)
InChIKeyGOANEGQFBNPSMM-UHFFFAOYSA-N
XLogP4.28
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclobutyl-3-[4-(2-ethylbutanoylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055417
5-cyclopropyl-3-[2-hydroxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055614
3-[4-(1-benzothiophene-2-carbonylamino)-2-hydroxyphenyl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055404
3-[4-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 135493293
5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055634
5-cyclopentyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-propan-2-ylpyrazole-1-carboxamide
CID 154055712
5-cyclopropyl-3-[5-[(4-ethoxybenzoyl)amino]-2-hydroxyphenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055004
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-[2-hydroxy-5-(propanoylamino)phenyl]pyrazole-1-carboxamide
CID 154054719
5-cyclobutyl-3-[2-hydroxy-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055324
5-cyclobutyl-3-[2-hydroxy-5-[(2-methoxybenzoyl)amino]phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide
CID 154055130
5-cyclopropyl-N-ethyl-3-[2-hydroxy-4-[(2-methylbenzoyl)amino]phenyl]pyrazole-1-carboxamide
CID 136636114
5-cyclobutyl-N-ethyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055654

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The IUPAC name of 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide (CID 154055737) is 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide.
What is the SMILES notation for 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The canonical SMILES for 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is CCC(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c(O)c1.
What is the InChIKey of 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
The InChIKey is GOANEGQFBNPSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-23(30)26-18-10-11-19(22(29)14-18)20-15-21(17-8-9-17)28(27-20)24(31)25-13-12-16-6-4-3-5-7-16/h3-7,10-11,14-15,17,29H,2,8-9,12-13H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide?
5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[2-hydroxy-4-(propanoylamino)phenyl]-N-(2-phenylethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 154055737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).