1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide

C8H11F2N3O — CID 19268545

IUPAC1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C8H11F2N3O/c1-5(2)11-7(14)6-3-4-13(12-6)8(9)10/h3-5,8H,1-2H3,(H,11,14)
InChIKeyJWIQLRRMVWOXHA-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.42
Rot. Bonds3

About 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide

1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 19268545) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID19268545
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C8H11F2N3O/c1-5(2)11-7(14)6-3-4-13(12-6)8(9)10/h3-5,8H,1-2H3,(H,11,14)
InChIKeyJWIQLRRMVWOXHA-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
N-(propan-2-yl)-1H-pyrazole-3-carboxamide
CID 53017380
N-cyclopentyl-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 903107
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide (CID 19268545) is 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide is CC(C)NC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is JWIQLRRMVWOXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5(2)11-7(14)6-3-4-13(12-6)8(9)10/h3-5,8H,1-2H3,(H,11,14).
What are the key properties of 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide?
1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 203.19 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 19268545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).