2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

C20H22N4O2S — CID 72874395

IUPAC2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)Nc2ccnn2Cc2cccs2)c1
InChIInChI=1S/C20H22N4O2S/c1-26-16-6-2-5-15(13-16)18-8-3-11-23(18)20(25)22-19-9-10-21-24(19)14-17-7-4-12-27-17/h2,4-7,9-10,12-13,18H,3,8,11,14H2,1H3,(H,22,25)
InChIKeyOSPJELAWBYQGGH-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.37
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 72874395) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
PubChem CID72874395
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)Nc2ccnn2Cc2cccs2)c1
InChIInChI=1S/C20H22N4O2S/c1-26-16-6-2-5-15(13-16)18-8-3-11-23(18)20(25)22-19-9-10-21-24(19)14-17-7-4-12-27-17/h2,4-7,9-10,12-13,18H,3,8,11,14H2,1H3,(H,22,25)
InChIKeyOSPJELAWBYQGGH-UHFFFAOYSA-N
XLogP4.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97273090
(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 97273091
N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 42932762
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86986361
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
2-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 138994487
2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 146123500
(2R)-1-N-(3-methoxyphenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1433469
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide (CID 72874395) is 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is COc1cccc(C2CCCN2C(=O)Nc2ccnn2Cc2cccs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is OSPJELAWBYQGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-16-6-2-5-15(13-16)18-8-3-11-23(18)20(25)22-19-9-10-21-24(19)14-17-7-4-12-27-17/h2,4-7,9-10,12-13,18H,3,8,11,14H2,1H3,(H,22,25).
What are the key properties of 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide?
2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 72874395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).