1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide

C19H19FN4O — CID 110409079

IUPAC1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2cccnc2)nn1-c1ccccc1F
InChIInChI=1S/C19H19FN4O/c1-14-12-17(23-24(14)18-9-3-2-8-16(18)20)19(25)22-11-5-7-15-6-4-10-21-13-15/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,22,25)
InChIKeyZHWSUHWJNXZGQU-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.08
Rot. Bonds6

About 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide

1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide (PubChem CID 110409079) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide
PubChem CID110409079
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCCc2cccnc2)nn1-c1ccccc1F
InChIInChI=1S/C19H19FN4O/c1-14-12-17(23-24(14)18-9-3-2-8-16(18)20)19(25)22-11-5-7-15-6-4-10-21-13-15/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,22,25)
InChIKeyZHWSUHWJNXZGQU-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110630786
1-(2-fluorophenyl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39561723
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067767
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110412991
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 138674538
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
1-(2-fluorophenyl)-N-(3-pyridin-3-ylpropyl)cyclopropane-1-carboxamide
CID 110607175
1-tert-butyl-5-propan-2-yl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 87012220
4-amino-3,5-difluoro-N-(2-pyridin-3-ylethyl)benzamide
CID 63185192
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide (CID 110409079) is 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide is Cc1cc(C(=O)NCCCc2cccnc2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is ZHWSUHWJNXZGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-14-12-17(23-24(14)18-9-3-2-8-16(18)20)19(25)22-11-5-7-15-6-4-10-21-13-15/h2-4,6,8-10,12-13H,5,7,11H2,1H3,(H,22,25).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-(3-pyridin-3-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110409079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).