1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

C14H11ClF2N6O — CID 136524340

IUPAC1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCn1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cn1
InChIInChI=1S/C14H11ClF2N6O/c1-22-7-8(5-19-22)21-14(24)9-6-20-23(11(9)12(16)17)13-10(15)3-2-4-18-13/h2-7,12H,1H3,(H,21,24)
InChIKeyRQEHVGXWEWIXIK-UHFFFAOYSA-N
MW352.73 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (PubChem CID 136524340) has the molecular formula C14H11ClF2N6O and a molecular weight of 352.73 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
PubChem CID136524340
Molecular FormulaC14H11ClF2N6O
Molecular Weight352.73 g/mol
Exact Mass352.07
IUPAC Name1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCn1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cn1
InChIInChI=1S/C14H11ClF2N6O/c1-22-7-8(5-19-22)21-14(24)9-6-20-23(11(9)12(16)17)13-10(15)3-2-4-18-13/h2-7,12H,1H3,(H,21,24)
InChIKeyRQEHVGXWEWIXIK-UHFFFAOYSA-N
XLogP2.84
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (CID 136524340) is 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is Cn1cc(NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)cn1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is RQEHVGXWEWIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N6O/c1-22-7-8(5-19-22)21-14(24)9-6-20-23(11(9)12(16)17)13-10(15)3-2-4-18-13/h2-7,12H,1H3,(H,21,24).
What are the key properties of 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 352.73 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-5-(difluoromethyl)-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 136524340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).