N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

C14H11FN4O — CID 136665414

IUPACN-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccc[nH]2)n[nH]1
InChIInChI=1S/C14H11FN4O/c15-9-3-5-10(6-4-9)17-14(20)13-8-12(18-19-13)11-2-1-7-16-11/h1-8,16H,(H,17,20)(H,18,19)
InChIKeyPXBJQHKGQUCRLF-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.80
Rot. Bonds3

About N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136665414) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID136665414
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC NameN-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc(-c2ccc[nH]2)n[nH]1
InChIInChI=1S/C14H11FN4O/c15-9-3-5-10(6-4-9)17-14(20)13-8-12(18-19-13)11-2-1-7-16-11/h1-8,16H,(H,17,20)(H,18,19)
InChIKeyPXBJQHKGQUCRLF-UHFFFAOYSA-N
XLogP2.80
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 136665414) is N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc(-c2ccc[nH]2)n[nH]1.
What is the InChIKey of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PXBJQHKGQUCRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-9-3-5-10(6-4-9)17-14(20)13-8-12(18-19-13)11-2-1-7-16-11/h1-8,16H,(H,17,20)(H,18,19).
What are the key properties of N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 270.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136665414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).