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

C17H18ClN3O2S — CID 2410323

IUPAC1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C17H18ClN3O2S/c1-10(9-23-3)19-16(22)15-8-14-11(2)20-21(17(14)24-15)13-6-4-12(18)5-7-13/h4-8,10H,9H2,1-3H3,(H,19,22)/t10-/m1/s1
InChIKeyCSPPMGGYCMXAHY-SNVBAGLBSA-N
MW363.87 g/mol
LogP3.81
Rot. Bonds5

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

1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2410323) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2410323
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1
InChIInChI=1S/C17H18ClN3O2S/c1-10(9-23-3)19-16(22)15-8-14-11(2)20-21(17(14)24-15)13-6-4-12(18)5-7-13/h4-8,10H,9H2,1-3H3,(H,19,22)/t10-/m1/s1
InChIKeyCSPPMGGYCMXAHY-SNVBAGLBSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 5176573
1-(4-chlorophenyl)-3-methyl-N-pentan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 3971166
N-(3-aminobutyl)-1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119498714
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120508597
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
1-(4-chlorophenyl)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 112793473
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796
3-[[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]propyl-dimethylazanium
CID 2420928
1-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 27647797
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27744208

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 2410323) is 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is COC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CSPPMGGYCMXAHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-10(9-23-3)19-16(22)15-8-14-11(2)20-21(17(14)24-15)13-6-4-12(18)5-7-13/h4-8,10H,9H2,1-3H3,(H,19,22)/t10-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 363.87 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2410323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).