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

C18H21ClN4O3S2 — CID 121030426

IUPACN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1
InChIInChI=1S/C18H21ClN4O3S2/c1-28(25,26)22-8-6-12(7-9-22)18(24)20-17-15-10-27-11-16(15)21-23(17)14-4-2-13(19)3-5-14/h2-5,12H,6-11H2,1H3,(H,20,24)
InChIKeyFVIIDMKVUROJJS-UHFFFAOYSA-N
MW440.98 g/mol
LogP2.88
Rot. Bonds4

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

N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 121030426) has the molecular formula C18H21ClN4O3S2 and a molecular weight of 440.98 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID121030426
Molecular FormulaC18H21ClN4O3S2
Molecular Weight440.98 g/mol
Exact Mass440.07
IUPAC NameN-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1
InChIInChI=1S/C18H21ClN4O3S2/c1-28(25,26)22-8-6-12(7-9-22)18(24)20-17-15-10-27-11-16(15)21-23(17)14-4-2-13(19)3-5-14/h2-5,12H,6-11H2,1H3,(H,20,24)
InChIKeyFVIIDMKVUROJJS-UHFFFAOYSA-N
XLogP2.88
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]-N'-[(2S)-1-hydroxybutan-2-yl]oxamide
CID 7424016
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17022867
1-(4-chlorophenyl)-3-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]urea
CID 5064920
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 121030439
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 55476481
5-chloro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 121030408
N-[(1S,2S)-2-methylcyclohexyl]-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676306
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 110726347
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17022797

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 121030426) is N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is FVIIDMKVUROJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S2/c1-28(25,26)22-8-6-12(7-9-22)18(24)20-17-15-10-27-11-16(15)21-23(17)14-4-2-13(19)3-5-14/h2-5,12H,6-11H2,1H3,(H,20,24).
What are the key properties of N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 121030426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).