5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide

C15H17FN4O — CID 119554451

IUPAC5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1-c1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C15H17FN4O/c1-20(12-6-7-17-8-12)15(21)13-9-18-19-14(13)10-2-4-11(16)5-3-10/h2-5,9,12,17H,6-8H2,1H3,(H,18,19)
InChIKeyFDFTVAZIQZMEIS-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.65
Rot. Bonds3

About 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 119554451) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
PubChem CID119554451
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1-c1ccc(F)cc1)C1CCNC1
InChIInChI=1S/C15H17FN4O/c1-20(12-6-7-17-8-12)15(21)13-9-18-19-14(13)10-2-4-11(16)5-3-10/h2-5,9,12,17H,6-8H2,1H3,(H,18,19)
InChIKeyFDFTVAZIQZMEIS-UHFFFAOYSA-N
XLogP1.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 119552969
4-fluoro-N-methyl-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550411
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
3-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
CID 119550677
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058
3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119441233
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552872

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide (CID 119554451) is 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1-c1ccc(F)cc1)C1CCNC1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is FDFTVAZIQZMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-20(12-6-7-17-8-12)15(21)13-9-18-19-14(13)10-2-4-11(16)5-3-10/h2-5,9,12,17H,6-8H2,1H3,(H,18,19).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 119554451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).