3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide

C9H12F2N4O — CID 146680555

IUPAC3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
SMILESNc1nn(CC(F)F)cc1C(=O)NC1CC1
InChIInChI=1S/C9H12F2N4O/c10-7(11)4-15-3-6(8(12)14-15)9(16)13-5-1-2-5/h3,5,7H,1-2,4H2,(H2,12,14)(H,13,16)
InChIKeyJBKXCLROXFMMPH-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.62
Rot. Bonds4

About 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide

3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide (PubChem CID 146680555) has the molecular formula C9H12F2N4O and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
PubChem CID146680555
Molecular FormulaC9H12F2N4O
Molecular Weight230.22 g/mol
Exact Mass230.10
IUPAC Name3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
SMILESNc1nn(CC(F)F)cc1C(=O)NC1CC1
InChIInChI=1S/C9H12F2N4O/c10-7(11)4-15-3-6(8(12)14-15)9(16)13-5-1-2-5/h3,5,7H,1-2,4H2,(H2,12,14)(H,13,16)
InChIKeyJBKXCLROXFMMPH-UHFFFAOYSA-N
XLogP0.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclohexyl-1-(2,2-difluoroethyl)pyrazole-3-carboxamide
CID 132586551
1-(2,2-difluoroethyl)-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)pyrazole-4-carboxamide
CID 136564938
4-chloro-1-(2,2-difluoroethyl)pyrazol-3-amine
CID 19622832
5,6-diamino-2-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 88864262
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 49072325
4-amino-1-(2,2-difluoroethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 132586559
5-amino-N-cyclopropyl-1-propan-2-ylpyrazole-4-carboxamide
CID 117213743
1-(2,2-difluoroethyl)-3-nitropyrazole-4-carboxamide
CID 119053440
2-amino-N-cyclooctyl-3-fluoropyridine-4-carboxamide
CID 105384104
3-(cyclopropylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 15679514
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide (CID 146680555) is 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide is Nc1nn(CC(F)F)cc1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
The InChIKey is JBKXCLROXFMMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O/c10-7(11)4-15-3-6(8(12)14-15)9(16)13-5-1-2-5/h3,5,7H,1-2,4H2,(H2,12,14)(H,13,16).
What are the key properties of 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide?
3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146680555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).