4-fluoro-1,3-dimethylpyrazole-5-carboxamide

C6H8FN3O — CID 174947483

IUPAC4-fluoro-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(N)=O)c1F
InChIInChI=1S/C6H8FN3O/c1-3-4(7)5(6(8)11)10(2)9-3/h1-2H3,(H2,8,11)
InChIKeyDPEQSHCSCGMUCP-UHFFFAOYSA-N
MW157.15 g/mol
LogP-0.03
Rot. Bonds1

About 4-fluoro-1,3-dimethylpyrazole-5-carboxamide

4-fluoro-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 174947483) has the molecular formula C6H8FN3O and a molecular weight of 157.15 g/mol. Its IUPAC name is 4-fluoro-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-1,3-dimethylpyrazole-5-carboxamide
PubChem CID174947483
Molecular FormulaC6H8FN3O
Molecular Weight157.15 g/mol
Exact Mass157.07
IUPAC Name4-fluoro-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(N)=O)c1F
InChIInChI=1S/C6H8FN3O/c1-3-4(7)5(6(8)11)10(2)9-3/h1-2H3,(H2,8,11)
InChIKeyDPEQSHCSCGMUCP-UHFFFAOYSA-N
XLogP-0.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.15
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-fluoro-1,3-dimethylpyrazole-5-carboxamide (CID 174947483) is 4-fluoro-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-fluoro-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(N)=O)c1F.
What is the InChIKey of 4-fluoro-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is DPEQSHCSCGMUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O/c1-3-4(7)5(6(8)11)10(2)9-3/h1-2H3,(H2,8,11).
What are the key properties of 4-fluoro-1,3-dimethylpyrazole-5-carboxamide?
4-fluoro-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 157.15 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 174947483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).