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

C14H10F2N4O — CID 136665415

IUPACN-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(-c2ccc[nH]2)n[nH]1
InChIInChI=1S/C14H10F2N4O/c15-8-3-4-10(9(16)6-8)18-14(21)13-7-12(19-20-13)11-2-1-5-17-11/h1-7,17H,(H,18,21)(H,19,20)
InChIKeyJAMARIJXBDZMFK-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.94
Rot. Bonds3

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

N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 136665415) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID136665415
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC NameN-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cc(-c2ccc[nH]2)n[nH]1
InChIInChI=1S/C14H10F2N4O/c15-8-3-4-10(9(16)6-8)18-14(21)13-7-12(19-20-13)11-2-1-5-17-11/h1-7,17H,(H,18,21)(H,19,20)
InChIKeyJAMARIJXBDZMFK-UHFFFAOYSA-N
XLogP2.94
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 136665415) is N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc[nH]2)n[nH]1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is JAMARIJXBDZMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-8-3-4-10(9(16)6-8)18-14(21)13-7-12(19-20-13)11-2-1-5-17-11/h1-7,17H,(H,18,21)(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(1H-pyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136665415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).