N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide

C14H16FN3O — CID 110279490

IUPACN-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCC(CNC(=O)c1ccn(C)n1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-10(11-3-5-12(15)6-4-11)9-16-14(19)13-7-8-18(2)17-13/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyZXGSYPDUWONOAS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide

N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110279490) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
PubChem CID110279490
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide
SMILESCC(CNC(=O)c1ccn(C)n1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-10(11-3-5-12(15)6-4-11)9-16-14(19)13-7-8-18(2)17-13/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyZXGSYPDUWONOAS-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 103884663
1-[(2,4-difluorophenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]pyrazole-3-carboxamide
CID 110279504
N-(2-chloro-3-methylbutyl)-1-methylpyrazole-3-carboxamide
CID 103122874
N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
CID 103120826
3-ethyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279591
3-tert-butyl-N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-5-carboxamide
CID 110279589
3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
CID 110279600
1-ethyl-N-[2-(4-fluorophenyl)propyl]-3,5-dimethylpyrazole-4-carboxamide
CID 110279442
N-[2-(4-fluorophenyl)propyl]-3,5-dimethylbenzamide
CID 110279716
N-(4-amino-2-ethylbutyl)-1-methylpyrazole-3-carboxamide
CID 103123157
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide (CID 110279490) is N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide is CC(CNC(=O)c1ccn(C)n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ZXGSYPDUWONOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10(11-3-5-12(15)6-4-11)9-16-14(19)13-7-8-18(2)17-13/h3-8,10H,9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide?
N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)propyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110279490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).