5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide

C18H16ClN3OS2 — CID 121030616

IUPAC5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)s2)CSC3)cc1C
InChIInChI=1S/C18H16ClN3OS2/c1-10-3-4-12(7-11(10)2)22-17(13-8-24-9-14(13)21-22)20-18(23)15-5-6-16(19)25-15/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyRQPXYDSCEZTPPM-UHFFFAOYSA-N
MW389.93 g/mol
LogP5.20
Rot. Bonds3

About 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide

5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 121030616) has the molecular formula C18H16ClN3OS2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID121030616
Molecular FormulaC18H16ClN3OS2
Molecular Weight389.93 g/mol
Exact Mass389.04
IUPAC Name5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)s2)CSC3)cc1C
InChIInChI=1S/C18H16ClN3OS2/c1-10-3-4-12(7-11(10)2)22-17(13-8-24-9-14(13)21-22)20-18(23)15-5-6-16(19)25-15/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyRQPXYDSCEZTPPM-UHFFFAOYSA-N
XLogP5.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 121030408
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 4121305
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,4,6-trimethylbenzamide
CID 5210835
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 121030593
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethylbutanamide
CID 3428591
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 121030606
N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(4-fluorophenyl)acetamide
CID 4133470
4-chloro-N-[2-(3,5-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3323330
3,5-dichloro-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 121030584
3-chloro-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3511290
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 40868735
2,5-dichloro-N-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4208067

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (CID 121030616) is 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)s2)CSC3)cc1C.
What is the InChIKey of 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is RQPXYDSCEZTPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS2/c1-10-3-4-12(7-11(10)2)22-17(13-8-24-9-14(13)21-22)20-18(23)15-5-6-16(19)25-15/h3-7H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 389.93 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 121030616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).