5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide

C12H13FN4O — CID 115694778

IUPAC5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cncc(F)c2)n[nH]1
InChIInChI=1S/C12H13FN4O/c1-7(2)10-4-11(17-16-10)15-12(18)8-3-9(13)6-14-5-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyBSECZWMFPXRNRN-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.32
Rot. Bonds3

About 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide

5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 115694778) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
PubChem CID115694778
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cncc(F)c2)n[nH]1
InChIInChI=1S/C12H13FN4O/c1-7(2)10-4-11(17-16-10)15-12(18)8-3-9(13)6-14-5-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeyBSECZWMFPXRNRN-UHFFFAOYSA-N
XLogP2.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 104785610
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
4-amino-3,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115868449
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
6-(cyclopropylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 71881616

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide (CID 115694778) is 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide is CC(C)c1cc(NC(=O)c2cncc(F)c2)n[nH]1.
What is the InChIKey of 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is BSECZWMFPXRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-7(2)10-4-11(17-16-10)15-12(18)8-3-9(13)6-14-5-8/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 115694778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).