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

C24H27ClN4O2S — CID 55464900

IUPAC[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)cc12
InChIInChI=1S/C24H27ClN4O2S/c1-16-19-14-21(32-24(19)29(26-16)15-18-6-2-3-7-20(18)25)23(31)28-12-8-17(9-13-28)22(30)27-10-4-5-11-27/h2-3,6-7,14,17H,4-5,8-13,15H2,1H3
InChIKeyDLJXAQSVOCLFIV-UHFFFAOYSA-N
MW471.03 g/mol
LogP4.58
Rot. Bonds4

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

[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 55464900) has the molecular formula C24H27ClN4O2S and a molecular weight of 471.03 g/mol. Its IUPAC name is [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID55464900
Molecular FormulaC24H27ClN4O2S
Molecular Weight471.03 g/mol
Exact Mass470.15
IUPAC Name[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)cc12
InChIInChI=1S/C24H27ClN4O2S/c1-16-19-14-21(32-24(19)29(26-16)15-18-6-2-3-7-20(18)25)23(31)28-12-8-17(9-13-28)22(30)27-10-4-5-11-27/h2-3,6-7,14,17H,4-5,8-13,15H2,1H3
InChIKeyDLJXAQSVOCLFIV-UHFFFAOYSA-N
XLogP4.58
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.03
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119412023
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one
CID 100740586
(2-oxo-2-pyrrolidin-1-ylethyl) 1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2099748
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
[1-[(2,6-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769213
N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 112822529
[1-[(2,4-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 56543726
(3-aminopiperidin-1-yl)-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 119380770
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
[1-[(2,4-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647450
1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-oxoazepan-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 167855641

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 55464900) is [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC(C(=O)N4CCCC4)CC3)cc12.
What is the InChIKey of [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DLJXAQSVOCLFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2S/c1-16-19-14-21(32-24(19)29(26-16)15-18-6-2-3-7-20(18)25)23(31)28-12-8-17(9-13-28)22(30)27-10-4-5-11-27/h2-3,6-7,14,17H,4-5,8-13,15H2,1H3.
What are the key properties of [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 471.03 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 55464900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).