1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C16H14ClN3OS — CID 947337

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC3CC3)cc12
InChIInChI=1S/C16H14ClN3OS/c1-9-13-8-14(15(21)18-11-4-5-11)22-16(13)20(19-9)12-6-2-10(17)3-7-12/h2-3,6-8,11H,4-5H2,1H3,(H,18,21)
InChIKeyOLDWXNCLDHZFQY-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 947337) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID947337
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC3CC3)cc12
InChIInChI=1S/C16H14ClN3OS/c1-9-13-8-14(15(21)18-11-4-5-11)22-16(13)20(19-9)12-6-2-10(17)3-7-12/h2-3,6-8,11H,4-5H2,1H3,(H,18,21)
InChIKeyOLDWXNCLDHZFQY-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
methyl 4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexane-1-carboxylate
CID 66819290
cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677354
N-(3-aminopropyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119408170
N-(2-amino-1-cyclopropylethyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119616799
[methyl-[[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamoyl]amino] acetate
CID 89437726
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 4015786
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium
CID 2420928
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
N-[4-[4-(dimethylamino)piperidin-1-yl]cyclohexyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 66819473
1-(4-chlorophenyl)-3-methyl-N-pentan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 3971166

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 947337) is 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC3CC3)cc12.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is OLDWXNCLDHZFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-9-13-8-14(15(21)18-11-4-5-11)22-16(13)20(19-9)12-6-2-10(17)3-7-12/h2-3,6-8,11H,4-5H2,1H3,(H,18,21).
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 331.83 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 947337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).