1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide

C23H27ClN4O2S — CID 32541107

IUPAC1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc12
InChIInChI=1S/C23H27ClN4O2S/c1-14(2)22(30)27-10-8-18(9-11-27)25-21(29)20-12-19-15(3)26-28(23(19)31-20)13-16-4-6-17(24)7-5-16/h4-7,12,14,18H,8-11,13H2,1-3H3,(H,25,29)
InChIKeyRCMLCLFNVNPXTL-UHFFFAOYSA-N
MW459.02 g/mol
LogP4.48
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 32541107) has the molecular formula C23H27ClN4O2S and a molecular weight of 459.02 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID32541107
Molecular FormulaC23H27ClN4O2S
Molecular Weight459.02 g/mol
Exact Mass458.15
IUPAC Name1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc12
InChIInChI=1S/C23H27ClN4O2S/c1-14(2)22(30)27-10-8-18(9-11-27)25-21(29)20-12-19-15(3)26-28(23(19)31-20)13-16-4-6-17(24)7-5-16/h4-7,12,14,18H,8-11,13H2,1-3H3,(H,25,29)
InChIKeyRCMLCLFNVNPXTL-UHFFFAOYSA-N
XLogP4.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.02
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797
1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 4985598
N-(2-acetamidoethyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740674
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
N-(3-aminopropyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119406494
1-[(4-chlorophenyl)methyl]-3-methyl-N-[2-(methylamino)propyl]thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120831470
N-(3-amino-2-methylpropyl)-1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119997670
N-[1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 112822529
1-[(4-chlorophenyl)methyl]-3-methyl-N-[4-(4-methylpiperazin-1-yl)butyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55657127
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
N-(2-aminospiro[2.3]hexan-5-yl)-3-methyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 167938241
1-benzyl-3,5-dimethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 33024736

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide (CID 32541107) is 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)NC3CCN(C(=O)C(C)C)CC3)cc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is RCMLCLFNVNPXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2S/c1-14(2)22(30)27-10-8-18(9-11-27)25-21(29)20-12-19-15(3)26-28(23(19)31-20)13-16-4-6-17(24)7-5-16/h4-7,12,14,18H,8-11,13H2,1-3H3,(H,25,29).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 459.02 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 32541107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).