[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C23H25N3O2 — CID 145021807

IUPAC[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC2c2cccc(OC)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H25N3O2/c1-3-16-12-18(9-10-21(16)19-14-24-25-15-19)23(27)26-11-5-8-22(26)17-6-4-7-20(13-17)28-2/h4,6-7,9-10,12-15,22H,3,5,8,11H2,1-2H3,(H,24,25)
InChIKeyYILKXRVWKYIAFX-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.62
Rot. Bonds5

About [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 145021807) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID145021807
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC2c2cccc(OC)c2)ccc1-c1cn[nH]c1
InChIInChI=1S/C23H25N3O2/c1-3-16-12-18(9-10-21(16)19-14-24-25-15-19)23(27)26-11-5-8-22(26)17-6-4-7-20(13-17)28-2/h4,6-7,9-10,12-15,22H,3,5,8,11H2,1-2H3,(H,24,25)
InChIKeyYILKXRVWKYIAFX-UHFFFAOYSA-N
XLogP4.62
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-1-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-2-yl]benzoic acid
CID 118879009
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
CID 130304794
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methanone
CID 118878837
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[2-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidin-1-yl]methanone
CID 118878845
[2-[3-(furan-3-yl)phenyl]pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
CID 118878965
[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-[2-[3-[(1-methylpiperidin-4-yl)amino]phenyl]pyrrolidin-1-yl]methanone
CID 118878838
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
[2-(4-chlorophenyl)pyrimidin-5-yl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92614062
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-[6-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 178094996
[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 167484817
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 145021807) is [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is CCc1cc(C(=O)N2CCCC2c2cccc(OC)c2)ccc1-c1cn[nH]c1.
What is the InChIKey of [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is YILKXRVWKYIAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-16-12-18(9-10-21(16)19-14-24-25-15-19)23(27)26-11-5-8-22(26)17-6-4-7-20(13-17)28-2/h4,6-7,9-10,12-15,22H,3,5,8,11H2,1-2H3,(H,24,25).
What are the key properties of [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 145021807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).