1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide

C16H17F2N5O — CID 46970417

IUPAC1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccn(C(F)F)n3)ccc2n1C
InChIInChI=1S/C16H17F2N5O/c1-9(2)14-20-12-8-10(4-5-13(12)22(14)3)19-15(24)11-6-7-23(21-11)16(17)18/h4-9,16H,1-3H3,(H,19,24)
InChIKeyLNHXPCWGQMJHNL-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.54
Rot. Bonds4

About 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide (PubChem CID 46970417) has the molecular formula C16H17F2N5O and a molecular weight of 333.34 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide
PubChem CID46970417
Molecular FormulaC16H17F2N5O
Molecular Weight333.34 g/mol
Exact Mass333.14
IUPAC Name1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3ccn(C(F)F)n3)ccc2n1C
InChIInChI=1S/C16H17F2N5O/c1-9(2)14-20-12-8-10(4-5-13(12)22(14)3)19-15(24)11-6-7-23(21-11)16(17)18/h4-9,16H,1-3H3,(H,19,24)
InChIKeyLNHXPCWGQMJHNL-UHFFFAOYSA-N
XLogP3.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide (CID 46970417) is 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide is CC(C)c1nc2cc(NC(=O)c3ccn(C(F)F)n3)ccc2n1C.
What is the InChIKey of 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is LNHXPCWGQMJHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O/c1-9(2)14-20-12-8-10(4-5-13(12)22(14)3)19-15(24)11-6-7-23(21-11)16(17)18/h4-9,16H,1-3H3,(H,19,24).
What are the key properties of 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 46970417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).