2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide

C7H9F2N3O — CID 151537253

IUPAC2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1C(CF)CF
InChIInChI=1S/C7H9F2N3O/c8-3-5(4-9)12-6(7(10)13)1-2-11-12/h1-2,5H,3-4H2,(H2,10,13)
InChIKeyPXSJLDNGBRAFEK-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.46
Rot. Bonds4

About 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide

2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide (PubChem CID 151537253) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide
PubChem CID151537253
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccnn1C(CF)CF
InChIInChI=1S/C7H9F2N3O/c8-3-5(4-9)12-6(7(10)13)1-2-11-12/h1-2,5H,3-4H2,(H2,10,13)
InChIKeyPXSJLDNGBRAFEK-UHFFFAOYSA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(fluoromethyl)pyrazole-3-carboxamide
CID 141169291
2-(pyrimidin-2-ylmethyl)pyrazole-3-carboxamide
CID 141015271
3-(5-carbamoylpyrazol-1-yl)propanoic acid
CID 50896470
2-(trideuteriomethyl)pyrazole-3-carboxamide
CID 175932022
(5-carbamoylpyrazol-1-yl)-trimethylazanium
CID 174731038
N-[(2-methylpropan-2-yl)oxy]-2-pentan-3-ylpyrazole-3-carboxamide
CID 166189777
2-(thietan-3-ylmethyl)pyrazole-3-carboxamide
CID 139371051
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
2-[(2-bromo-6-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 167865643
ethyl 2-(fluoromethyl)pyrazole-3-carboxylate
CID 140995866
2-propan-2-ylpyrazole-3-carboxylate
CID 7276397
1-[2-[1-(dimethylamino)pentan-3-yl]pyrazol-3-yl]ethanone;molecular hydrogen
CID 177369384

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide (CID 151537253) is 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide is NC(=O)c1ccnn1C(CF)CF.
What is the InChIKey of 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is PXSJLDNGBRAFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c8-3-5(4-9)12-6(7(10)13)1-2-11-12/h1-2,5H,3-4H2,(H2,10,13).
What are the key properties of 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide?
2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 189.17 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoropropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 151537253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).