(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C18H23N3O2S — CID 95736113

IUPAC(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOc1c([C@H]2CCCN2C(=O)c2sccc2C2CC2)c(C)nn1C
InChIInChI=1S/C18H23N3O2S/c1-11-15(18(23-3)20(2)19-11)14-5-4-9-21(14)17(22)16-13(8-10-24-16)12-6-7-12/h8,10,12,14H,4-7,9H2,1-3H3/t14-/m1/s1
InChIKeyLXXRSLZLSJJRMB-CQSZACIVSA-N
MW345.47 g/mol
LogP3.65
Rot. Bonds4

About (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95736113) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95736113
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOc1c([C@H]2CCCN2C(=O)c2sccc2C2CC2)c(C)nn1C
InChIInChI=1S/C18H23N3O2S/c1-11-15(18(23-3)20(2)19-11)14-5-4-9-21(14)17(22)16-13(8-10-24-16)12-6-7-12/h8,10,12,14H,4-7,9H2,1-3H3/t14-/m1/s1
InChIKeyLXXRSLZLSJJRMB-CQSZACIVSA-N
XLogP3.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-cyclopropyl-1,3-thiazol-5-yl)-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736144
[6-(dimethylamino)pyridazin-3-yl]-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95750435
[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95736074
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 97001743
1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 95736099
1H-indazol-4-yl-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95736031
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95735934
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95736080
(2S)-1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95736035
[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461477
1-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95750442
4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95764356

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95736113) is (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is COc1c([C@H]2CCCN2C(=O)c2sccc2C2CC2)c(C)nn1C.
What is the InChIKey of (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LXXRSLZLSJJRMB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-15(18(23-3)20(2)19-11)14-5-4-9-21(14)17(22)16-13(8-10-24-16)12-6-7-12/h8,10,12,14H,4-7,9H2,1-3H3/t14-/m1/s1.
What are the key properties of (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylthiophen-2-yl)-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95736113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).