[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone

C21H20FN3O — CID 42759128

IUPAC[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-n2nc(-c3ccccc3F)cc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H20FN3O/c1-15-7-6-8-16(13-15)25-20(21(26)24-11-4-5-12-24)14-19(23-25)17-9-2-3-10-18(17)22/h2-3,6-10,13-14H,4-5,11-12H2,1H3
InChIKeyNSROPKAJWCFXLK-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.22
Rot. Bonds3

About [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42759128) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID42759128
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(-n2nc(-c3ccccc3F)cc2C(=O)N2CCCC2)c1
InChIInChI=1S/C21H20FN3O/c1-15-7-6-8-16(13-15)25-20(21(26)24-11-4-5-12-24)14-19(23-25)17-9-2-3-10-18(17)22/h2-3,6-10,13-14H,4-5,11-12H2,1H3
InChIKeyNSROPKAJWCFXLK-UHFFFAOYSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 3945293
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
[3-(2-chlorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3878165
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3971984
ethyl 1-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 3473710
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 812149
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 42758347
[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42758383
[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3632123
[1-(3,4-dichlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4679362

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone (CID 42759128) is [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(-n2nc(-c3ccccc3F)cc2C(=O)N2CCCC2)c1.
What is the InChIKey of [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is NSROPKAJWCFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-7-6-8-16(13-15)25-20(21(26)24-11-4-5-12-24)14-19(23-25)17-9-2-3-10-18(17)22/h2-3,6-10,13-14H,4-5,11-12H2,1H3.
What are the key properties of [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42759128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).