N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C16H17ClN4OS — CID 120508597

IUPACN-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@H](C)CN)cc12
InChIInChI=1S/C16H17ClN4OS/c1-9(8-18)19-15(22)14-7-13-10(2)20-21(16(13)23-14)12-5-3-4-11(17)6-12/h3-7,9H,8,18H2,1-2H3,(H,19,22)/t9-/m0/s1
InChIKeyZSHYWFGAPQZVLS-VIFPVBQESA-N
MW348.86 g/mol
LogP3.13
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 120508597) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID120508597
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@H](C)CN)cc12
InChIInChI=1S/C16H17ClN4OS/c1-9(8-18)19-15(22)14-7-13-10(2)20-21(16(13)23-14)12-5-3-4-11(17)6-12/h3-7,9H,8,18H2,1-2H3,(H,19,22)/t9-/m0/s1
InChIKeyZSHYWFGAPQZVLS-VIFPVBQESA-N
XLogP3.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 27740679
1-(4-chlorophenyl)-3-methyl-N-pentan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 3971166
1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 2363675
1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 5176573
1-(4-chlorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 2410323
N-[(2S)-1-aminopropan-2-yl]-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120507373
N-(4-carbamoyl-3-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 56518324
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 119467604
N-[(1R)-1-(3-chlorophenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 25488173
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 N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 120508597) is N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)N[C@@H](C)CN)cc12.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ZSHYWFGAPQZVLS-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17ClN4OS/c1-9(8-18)19-15(22)14-7-13-10(2)20-21(16(13)23-14)12-5-3-4-11(17)6-12/h3-7,9H,8,18H2,1-2H3,(H,19,22)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 120508597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).