1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide

C9H9F2N5O — CID 19268640

IUPAC1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C9H9F2N5O/c1-15-4-3-7(14-15)12-8(17)6-2-5-16(13-6)9(10)11/h2-5,9H,1H3,(H,12,14,17)
InChIKeyDVKVPCLQQFWIRV-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.26
Rot. Bonds3

About 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 19268640) has the molecular formula C9H9F2N5O and a molecular weight of 241.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID19268640
Molecular FormulaC9H9F2N5O
Molecular Weight241.20 g/mol
Exact Mass241.08
IUPAC Name1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide
SMILESCn1ccc(NC(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C9H9F2N5O/c1-15-4-3-7(14-15)12-8(17)6-2-5-16(13-6)9(10)11/h2-5,9H,1H3,(H,12,14,17)
InChIKeyDVKVPCLQQFWIRV-UHFFFAOYSA-N
XLogP1.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.26
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-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide (CID 19268640) is 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide is Cn1ccc(NC(=O)c2ccn(C(F)F)n2)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is DVKVPCLQQFWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5O/c1-15-4-3-7(14-15)12-8(17)6-2-5-16(13-6)9(10)11/h2-5,9H,1H3,(H,12,14,17).
What are the key properties of 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 241.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(1-methylpyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).