N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

C21H17N3O3 — CID 112798255

IUPACN-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H17N3O3/c25-17-14-24(16-10-5-2-6-11-16)23-20(17)21(26)22-19(18-12-7-13-27-18)15-8-3-1-4-9-15/h1-14,19,25H,(H,22,26)
InChIKeyIGZHTUMNSVCZFT-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.69
Rot. Bonds5

About N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide

N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (PubChem CID 112798255) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
PubChem CID112798255
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C21H17N3O3/c25-17-14-24(16-10-5-2-6-11-16)23-20(17)21(26)22-19(18-12-7-13-27-18)15-8-3-1-4-9-15/h1-14,19,25H,(H,22,26)
InChIKeyIGZHTUMNSVCZFT-UHFFFAOYSA-N
XLogP3.69
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-4-hydroxypyrazole-3-carboxamide
CID 110004135
propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate
CID 112803711
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 129431954
N-[furan-2-yl(phenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 134029367
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
(3S)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71458888
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
CID 71898477
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
2-bromo-N-[furan-2-yl(phenyl)methyl]furan-3-carboxamide
CID 106853210
N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091733

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide (CID 112798255) is N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is O=C(NC(c1ccccc1)c1ccco1)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is IGZHTUMNSVCZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-17-14-24(16-10-5-2-6-11-16)23-20(17)21(26)22-19(18-12-7-13-27-18)15-8-3-1-4-9-15/h1-14,19,25H,(H,22,26).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide?
N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 112798255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).