1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C19H22Cl2N4OS — CID 120602651

IUPAC1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)NC3CCNC(C)C3)cc12.Cl
InChIInChI=1S/C19H21ClN4OS.ClH/c1-11-9-13(7-8-21-11)22-18(25)17-10-14-12(2)23-24(19(14)26-17)16-6-4-3-5-15(16)20;/h3-6,10-11,13,21H,7-9H2,1-2H3,(H,22,25);1H
InChIKeyPAWIYNRQKAMSTE-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.34
Rot. Bonds3

About 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 120602651) has the molecular formula C19H22Cl2N4OS and a molecular weight of 425.39 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID120602651
Molecular FormulaC19H22Cl2N4OS
Molecular Weight425.39 g/mol
Exact Mass424.09
IUPAC Name1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)NC3CCNC(C)C3)cc12.Cl
InChIInChI=1S/C19H21ClN4OS.ClH/c1-11-9-13(7-8-21-11)22-18(25)17-10-14-12(2)23-24(19(14)26-17)16-6-4-3-5-15(16)20;/h3-6,10-11,13,21H,7-9H2,1-2H3,(H,22,25);1H
InChIKeyPAWIYNRQKAMSTE-UHFFFAOYSA-N
XLogP4.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
1-benzyl-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120598947
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24610172
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
1-(2-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55805890
1-(2-chlorophenyl)-3-methyl-N-[2-(methylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119503929
1-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119509052
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119617320
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120944170
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 7376989
(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone;hydrochloride
CID 119376528
ethyl N-[2-[[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 56557657

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 120602651) is 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NC3CCNC(C)C3)cc12.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is PAWIYNRQKAMSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS.ClH/c1-11-9-13(7-8-21-11)22-18(25)17-10-14-12(2)23-24(19(14)26-17)16-6-4-3-5-15(16)20;/h3-6,10-11,13,21H,7-9H2,1-2H3,(H,22,25);1H.
What are the key properties of 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 425.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-methyl-N-(2-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120602651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).