2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C10H8F5N5O — CID 4776192

IUPAC2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)c1ccnn1C(F)F
InChIInChI=1S/C10H8F5N5O/c11-9(12)20-7(1-2-16-20)8(21)18-6-3-17-19(4-6)5-10(13,14)15/h1-4,9H,5H2,(H,18,21)
InChIKeyRAGPFHBGRWHWPT-UHFFFAOYSA-N
MW309.20 g/mol
LogP2.29
Rot. Bonds4

About 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 4776192) has the molecular formula C10H8F5N5O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID4776192
Molecular FormulaC10H8F5N5O
Molecular Weight309.20 g/mol
Exact Mass309.06
IUPAC Name2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)c1ccnn1C(F)F
InChIInChI=1S/C10H8F5N5O/c11-9(12)20-7(1-2-16-20)8(21)18-6-3-17-19(4-6)5-10(13,14)15/h1-4,9H,5H2,(H,18,21)
InChIKeyRAGPFHBGRWHWPT-UHFFFAOYSA-N
XLogP2.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 652342
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
N-(2-sulfanylethyl)-1-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 177679645
N-(2-sulfanylethyl)-2-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 177679904
Ethane-1,2-diamine, N,N'-(1-methyl-5-pyrazolylcarbonyl)-
CID 573224
1-methyl-5-(1H-pyrazol-1-ylcarbonyl)-3-(trifluoromethyl)-1H-pyrazole
CID 844640
4-{[3-(4-bromo-1H-pyrazol-1-yl)propanoyl]amino}-1-methyl-1H-pyrazole-5-carboxamide
CID 4768465
2-methyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 4773800
Pyrazole, 1-methyl-5-(1-pyrazolylcarbonyl)-
CID 573254

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 4776192) is 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is RAGPFHBGRWHWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N5O/c11-9(12)20-7(1-2-16-20)8(21)18-6-3-17-19(4-6)5-10(13,14)15/h1-4,9H,5H2,(H,18,21).
What are the key properties of 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 309.20 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 4776192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).