(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C16H18N4O2S — CID 97313694

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@H]2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)on1
InChIInChI=1S/C16H18N4O2S/c1-9-7-13(22-18-9)12-5-4-6-20(12)15(21)14-8-11-10(2)17-19(3)16(11)23-14/h7-8,12H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyLCNJOSQOKDJKGB-GFCCVEGCSA-N
MW330.41 g/mol
LogP3.22
Rot. Bonds2

About (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 97313694) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID97313694
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc([C@H]2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)on1
InChIInChI=1S/C16H18N4O2S/c1-9-7-13(22-18-9)12-5-4-6-20(12)15(21)14-8-11-10(2)17-19(3)16(11)23-14/h7-8,12H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyLCNJOSQOKDJKGB-GFCCVEGCSA-N
XLogP3.22
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86951494
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
(4-amino-1,3-dimethylpyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66123020
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53013793
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[2-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 136546964
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51314771
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 42961988
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 127620950
2-amino-2-cyclopropyl-1-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 54873424

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 97313694) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc([C@H]2CCCN2C(=O)c2cc3c(C)nn(C)c3s2)on1.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LCNJOSQOKDJKGB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9-7-13(22-18-9)12-5-4-6-20(12)15(21)14-8-11-10(2)17-19(3)16(11)23-14/h7-8,12H,4-6H2,1-3H3/t12-/m1/s1.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 330.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97313694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).