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

C16H12ClN3OS2 — CID 121030440

IUPACN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccsc1
InChIInChI=1S/C16H12ClN3OS2/c17-11-1-3-12(4-2-11)20-15(13-8-23-9-14(13)19-20)18-16(21)10-5-6-22-7-10/h1-7H,8-9H2,(H,18,21)
InChIKeyPSKWZLVZNJDTHI-UHFFFAOYSA-N
MW361.88 g/mol
LogP4.59
Rot. Bonds3

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

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide (PubChem CID 121030440) has the molecular formula C16H12ClN3OS2 and a molecular weight of 361.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide
PubChem CID121030440
Molecular FormulaC16H12ClN3OS2
Molecular Weight361.88 g/mol
Exact Mass361.01
IUPAC NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccsc1
InChIInChI=1S/C16H12ClN3OS2/c17-11-1-3-12(4-2-11)20-15(13-8-23-9-14(13)19-20)18-16(21)10-5-6-22-7-10/h1-7H,8-9H2,(H,18,21)
InChIKeyPSKWZLVZNJDTHI-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide (CID 121030440) is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide is O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccsc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide?
The InChIKey is PSKWZLVZNJDTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3OS2/c17-11-1-3-12(4-2-11)20-15(13-8-23-9-14(13)19-20)18-16(21)10-5-6-22-7-10/h1-7H,8-9H2,(H,18,21).
What are the key properties of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide?
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide has a molecular weight of 361.88 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 121030440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).