1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide

C23H21Cl2N3OS — CID 4227708

IUPAC1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C23H21Cl2N3OS/c24-16-5-3-15(4-6-16)23(11-1-2-12-23)22(29)26-21-19-13-30-14-20(19)27-28(21)18-9-7-17(25)8-10-18/h3-10H,1-2,11-14H2,(H,26,29)
InChIKeyUICZXOVFGXJJRE-UHFFFAOYSA-N
MW458.41 g/mol
LogP6.38
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 4227708) has the molecular formula C23H21Cl2N3OS and a molecular weight of 458.41 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
PubChem CID4227708
Molecular FormulaC23H21Cl2N3OS
Molecular Weight458.41 g/mol
Exact Mass457.08
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C23H21Cl2N3OS/c24-16-5-3-15(4-6-16)23(11-1-2-12-23)22(29)26-21-19-13-30-14-20(19)27-28(21)18-9-7-17(25)8-10-18/h3-10H,1-2,11-14H2,(H,26,29)
InChIKeyUICZXOVFGXJJRE-UHFFFAOYSA-N
XLogP6.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.41
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[2-(4-methylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 4192688
1-(4-chlorophenyl)-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide
CID 2160505
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7424034
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxyacetamide
CID 7484081
2-(azepan-1-yl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxoacetamide
CID 7424033
2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4619425
3-chloro-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3511290
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide
CID 121030440
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-iodobenzamide
CID 3711750
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 121030444
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-N'-[(2S)-1-hydroxybutan-2-yl]oxamide
CID 7424016
4-chloro-N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3323330

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide (CID 4227708) is 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide is O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide?
The InChIKey is UICZXOVFGXJJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3OS/c24-16-5-3-15(4-6-16)23(11-1-2-12-23)22(29)26-21-19-13-30-14-20(19)27-28(21)18-9-7-17(25)8-10-18/h3-10H,1-2,11-14H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 458.41 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 4227708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).