1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide

C20H21ClN4O2S — CID 17476188

IUPAC1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCCN3CCCC3=O)cc12
InChIInChI=1S/C20H21ClN4O2S/c1-13-16-12-17(19(27)22-8-4-10-24-9-3-7-18(24)26)28-20(16)25(23-13)15-6-2-5-14(21)11-15/h2,5-6,11-12H,3-4,7-10H2,1H3,(H,22,27)
InChIKeyWCDAKJKALGPBLE-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.79
Rot. Bonds6

About 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide

1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 17476188) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID17476188
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCCN3CCCC3=O)cc12
InChIInChI=1S/C20H21ClN4O2S/c1-13-16-12-17(19(27)22-8-4-10-24-9-3-7-18(24)26)28-20(16)25(23-13)15-6-2-5-14(21)11-15/h2,5-6,11-12H,3-4,7-10H2,1H3,(H,22,27)
InChIKeyWCDAKJKALGPBLE-UHFFFAOYSA-N
XLogP3.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
1-(3-chlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30892237
N-(3-aminopropyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119408170
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
3-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 37394030
3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119445953
3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium
CID 2420928
3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55862871
N-(3-acetamido-4-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55784656

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 17476188) is 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NCCCN3CCCC3=O)cc12.
What is the InChIKey of 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WCDAKJKALGPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-13-16-12-17(19(27)22-8-4-10-24-9-3-7-18(24)26)28-20(16)25(23-13)15-6-2-5-14(21)11-15/h2,5-6,11-12H,3-4,7-10H2,1H3,(H,22,27).
What are the key properties of 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 416.93 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 17476188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).