3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide

C20H20FN3O — CID 110307672

IUPAC3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc(-c3ccc(F)c(C)c3)n[nH]2)c1
InChIInChI=1S/C20H20FN3O/c1-13-4-3-5-15(10-13)8-9-22-20(25)19-12-18(23-24-19)16-6-7-17(21)14(2)11-16/h3-7,10-12H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFYNZZMNSSJGMKI-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.81
Rot. Bonds5

About 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 110307672) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID110307672
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1cccc(CCNC(=O)c2cc(-c3ccc(F)c(C)c3)n[nH]2)c1
InChIInChI=1S/C20H20FN3O/c1-13-4-3-5-15(10-13)8-9-22-20(25)19-12-18(23-24-19)16-6-7-17(21)14(2)11-16/h3-7,10-12H,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFYNZZMNSSJGMKI-UHFFFAOYSA-N
XLogP3.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110300163
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110309072
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
2-fluoro-N-[2-(3-methylphenyl)ethyl]-5-sulfanylbenzamide
CID 107028207
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CID 6468714
3-amino-N-[2-(3-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62792683
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
6-fluoro-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 63978992
4-bromo-3-fluoro-N-[2-(3-methylphenyl)ethyl]benzamide
CID 60611411
3-(4-fluoro-3-methylphenyl)-N-(2-methyl-1,3-benzoxazol-7-yl)-1H-pyrazole-5-carboxamide
CID 110356761

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 110307672) is 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide is Cc1cccc(CCNC(=O)c2cc(-c3ccc(F)c(C)c3)n[nH]2)c1.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is FYNZZMNSSJGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-13-4-3-5-15(10-13)8-9-22-20(25)19-12-18(23-24-19)16-6-7-17(21)14(2)11-16/h3-7,10-12H,8-9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110307672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).