[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone

C18H18ClN3OS — CID 27670273

IUPAC[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCCC3)cc12
InChIInChI=1S/C18H18ClN3OS/c1-12-15-10-16(17(23)21-8-2-3-9-21)24-18(15)22(20-12)11-13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyMMZHATXSMZMQMJ-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.34
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone

[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 27670273) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID27670273
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCCC3)cc12
InChIInChI=1S/C18H18ClN3OS/c1-12-15-10-16(17(23)21-8-2-3-9-21)24-18(15)22(20-12)11-13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3
InChIKeyMMZHATXSMZMQMJ-UHFFFAOYSA-N
XLogP4.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 17423880
1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
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CID 25296363
(2-oxo-2-piperidin-1-ylethyl) 1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
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methyl 1-[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 112809189
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1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797
[1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
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N-[[1-[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 55677976
[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone (CID 27670273) is [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCCC3)cc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MMZHATXSMZMQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-12-15-10-16(17(23)21-8-2-3-9-21)24-18(15)22(20-12)11-13-4-6-14(19)7-5-13/h4-7,10H,2-3,8-9,11H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 359.88 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 27670273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).