1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

C14H9F4N5O — CID 167787749

IUPAC1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1cnn(C(F)F)c1
InChIInChI=1S/C14H9F4N5O/c15-8-2-1-3-9(16)12(8)10-4-11(22-21-10)20-13(24)7-5-19-23(6-7)14(17)18/h1-6,14H,(H2,20,21,22,24)
InChIKeyXIKPINHWRMCWAS-UHFFFAOYSA-N
MW339.25 g/mol
LogP3.20
Rot. Bonds4

About 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 167787749) has the molecular formula C14H9F4N5O and a molecular weight of 339.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID167787749
Molecular FormulaC14H9F4N5O
Molecular Weight339.25 g/mol
Exact Mass339.07
IUPAC Name1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1cnn(C(F)F)c1
InChIInChI=1S/C14H9F4N5O/c15-8-2-1-3-9(16)12(8)10-4-11(22-21-10)20-13(24)7-5-19-23(6-7)14(17)18/h1-6,14H,(H2,20,21,22,24)
InChIKeyXIKPINHWRMCWAS-UHFFFAOYSA-N
XLogP3.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (CID 167787749) is 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is XIKPINHWRMCWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N5O/c15-8-2-1-3-9(16)12(8)10-4-11(22-21-10)20-13(24)7-5-19-23(6-7)14(17)18/h1-6,14H,(H2,20,21,22,24).
What are the key properties of 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 339.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[5-(2,6-difluorophenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167787749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).