[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone

C21H21N3O2 — CID 812015

IUPAC[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-11-9-17(10-12-18)24-20(21(25)23-13-5-6-14-23)15-19(22-24)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3
InChIKeyATFGRIWIBFFHNK-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.78
Rot. Bonds4

About [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone

[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 812015) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID812015
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-11-9-17(10-12-18)24-20(21(25)23-13-5-6-14-23)15-19(22-24)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3
InChIKeyATFGRIWIBFFHNK-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42755348
[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 811995
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3907292
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4023539
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761946
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 4320538
azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 3983305
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone (CID 812015) is [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-n2nc(-c3ccccc3)cc2C(=O)N2CCCC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ATFGRIWIBFFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-11-9-17(10-12-18)24-20(21(25)23-13-5-6-14-23)15-19(22-24)16-7-3-2-4-8-16/h2-4,7-12,15H,5-6,13-14H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone?
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 347.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 812015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).