1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide

C20H19FN4O — CID 70975195

IUPAC1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ncccc3F)CCC2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-14-13-17(24-25(14)15-7-3-2-4-8-15)23-19(26)20(10-6-11-20)18-16(21)9-5-12-22-18/h2-5,7-9,12-13H,6,10-11H2,1H3,(H,23,24,26)
InChIKeyZXIZARSCRGGJEM-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.78
Rot. Bonds4

About 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide

1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 70975195) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide
PubChem CID70975195
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide
SMILESCc1cc(NC(=O)C2(c3ncccc3F)CCC2)nn1-c1ccccc1
InChIInChI=1S/C20H19FN4O/c1-14-13-17(24-25(14)15-7-3-2-4-8-15)23-19(26)20(10-6-11-20)18-16(21)9-5-12-22-18/h2-5,7-9,12-13H,6,10-11H2,1H3,(H,23,24,26)
InChIKeyZXIZARSCRGGJEM-UHFFFAOYSA-N
XLogP3.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 138998233
N-[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-2-(3-fluoro-2-pyridinyl)spiro[2.2]pentane-2-carboxamide
CID 135316097
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 154737436
N-(4-methyl-2-pyridinyl)-1-phenylcyclobutane-1-carboxamide
CID 110439493
1-(3-fluoro-2-pyridinyl)cyclopropane-1-carboxylic acid
CID 84657708
3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
CID 2726214
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 135316111
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
CID 10251870

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide (CID 70975195) is 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide is Cc1cc(NC(=O)C2(c3ncccc3F)CCC2)nn1-c1ccccc1.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is ZXIZARSCRGGJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-14-13-17(24-25(14)15-7-3-2-4-8-15)23-19(26)20(10-6-11-20)18-16(21)9-5-12-22-18/h2-5,7-9,12-13H,6,10-11H2,1H3,(H,23,24,26).
What are the key properties of 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide?
1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-N-(5-methyl-1-phenylpyrazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 70975195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).