1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H17FN4O2 — CID 32581409

IUPAC1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H17FN4O2/c22-17-8-10-18(11-9-17)26-21(25-12-4-5-13-25)19(14-23-26)20(27)24-28-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,27)
InChIKeyPPBYPGXCJNOHDB-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.66
Rot. Bonds6

About 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 32581409) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID32581409
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1
InChIInChI=1S/C21H17FN4O2/c22-17-8-10-18(11-9-17)26-21(25-12-4-5-13-25)19(14-23-26)20(27)24-28-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,27)
InChIKeyPPBYPGXCJNOHDB-UHFFFAOYSA-N
XLogP3.66
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-Difluorophenyl)-1-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 16012000
Ethyl 3-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]benzoate
CID 16012238
N-(4-ethylphenyl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16012240
N-[4-(diethylamino)-2-methylphenyl]-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16012246
N-(2,4-difluorophenyl)-1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 16011943
N-(4-Fluoro-2-methylphenyl)-1-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 16012004
N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16021850
1-(4-fluorophenyl)-N-(2-phenylethyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16021876
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16021886
N-Benzyl-1-[1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 16011325
1-(4-fluorophenyl)-N-(2-phenylpropyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16021904
N-benzyl-N-ethyl-1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16021916

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 32581409) is 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide is O=C(NOCc1ccccc1)c1cnn(-c2ccc(F)cc2)c1-n1cccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is PPBYPGXCJNOHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-17-8-10-18(11-9-17)26-21(25-12-4-5-13-25)19(14-23-26)20(27)24-28-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,24,27).
What are the key properties of 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 32581409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).