1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

C14H16FN3O — CID 4157405

IUPAC1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C14H16FN3O/c1-3-18-9-13(10(2)17-18)14(19)16-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,19)
InChIKeyZVSVUNKIWATROF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.28
Rot. Bonds4

About 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 4157405) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID4157405
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(F)cc2)c(C)n1
InChIInChI=1S/C14H16FN3O/c1-3-18-9-13(10(2)17-18)14(19)16-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,19)
InChIKeyZVSVUNKIWATROF-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 35763955
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474417
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478100
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
(E)-1-(1-ethyl-3-methylpyrazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one
CID 19554726
2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
N-[(4-carbamothioylphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801548
N-[3-(dimethylamino)propyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (CID 4157405) is 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)NCc2ccc(F)cc2)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is ZVSVUNKIWATROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-18-9-13(10(2)17-18)14(19)16-8-11-4-6-12(15)7-5-11/h4-7,9H,3,8H2,1-2H3,(H,16,19).
What are the key properties of 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4157405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).