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

C21H21N3O2 — CID 167484817

IUPAC[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOc1cccc(-c2ccccc2[C@@H]2CCCN2C(=O)c2cn[nH]c2)c1
InChIInChI=1S/C21H21N3O2/c1-26-17-7-4-6-15(12-17)18-8-2-3-9-19(18)20-10-5-11-24(20)21(25)16-13-22-23-14-16/h2-4,6-9,12-14,20H,5,10-11H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyKWGAGMQZNVMVTH-FQEVSTJZSA-N
MW347.42 g/mol
LogP4.06
Rot. Bonds4

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

[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 167484817) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID167484817
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOc1cccc(-c2ccccc2[C@@H]2CCCN2C(=O)c2cn[nH]c2)c1
InChIInChI=1S/C21H21N3O2/c1-26-17-7-4-6-15(12-17)18-8-2-3-9-19(18)20-10-5-11-24(20)21(25)16-13-22-23-14-16/h2-4,6-9,12-14,20H,5,10-11H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyKWGAGMQZNVMVTH-FQEVSTJZSA-N
XLogP4.06
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylphenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 54876822
N-[2-(3-methoxyphenyl)phenyl]-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 171330847
(Z)-3-amino-2-aminosulfanyl-1-[2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]but-2-en-1-one
CID 167484832
[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 145021807
(2Z,4Z)-3-chloro-1-[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-2-methylhexa-2,4-dien-1-one
CID 167484654
[2-(2-fluorophenyl)pyrrolidin-1-yl]-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone
CID 46266458
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]methanone
CID 130304794
[(2S)-2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 97009815
[4-(2-chloro-4-methoxyphenyl)phenyl]-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 166659086
2-(azepan-1-yl)-1-[2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 110268780
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 167484817) is [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is COc1cccc(-c2ccccc2[C@@H]2CCCN2C(=O)c2cn[nH]c2)c1.
What is the InChIKey of [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is KWGAGMQZNVMVTH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-17-7-4-6-15(12-17)18-8-2-3-9-19(18)20-10-5-11-24(20)21(25)16-13-22-23-14-16/h2-4,6-9,12-14,20H,5,10-11H2,1H3,(H,22,23)/t20-/m0/s1.
What are the key properties of [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(3-methoxyphenyl)phenyl]pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 167484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).