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

C25H22ClN5OS — CID 134027528

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCc3nccn3Cc3ccccc3)cc12
InChIInChI=1S/C25H22ClN5OS/c1-17-19-15-22(33-25(19)31(29-17)21-10-6-5-9-20(21)26)24(32)28-12-11-23-27-13-14-30(23)16-18-7-3-2-4-8-18/h2-10,13-15H,11-12,16H2,1H3,(H,28,32)
InChIKeySUDWNVYEJHZPPR-UHFFFAOYSA-N
MW476.01 g/mol
LogP5.27
Rot. Bonds7

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

N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 134027528) has the molecular formula C25H22ClN5OS and a molecular weight of 476.01 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID134027528
Molecular FormulaC25H22ClN5OS
Molecular Weight476.01 g/mol
Exact Mass475.12
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCc3nccn3Cc3ccccc3)cc12
InChIInChI=1S/C25H22ClN5OS/c1-17-19-15-22(33-25(19)31(29-17)21-10-6-5-9-20(21)26)24(32)28-12-11-23-27-13-14-30(23)16-18-7-3-2-4-8-18/h2-10,13-15H,11-12,16H2,1H3,(H,28,32)
InChIKeySUDWNVYEJHZPPR-UHFFFAOYSA-N
XLogP5.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.01
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 86906254
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
ethyl N-[2-[[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 56557657
1-(2-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55805890
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120944170
1-(2-chlorophenyl)-3-methyl-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 56544146
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24610172
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 134039701
1-(2-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16546983

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 134027528) is N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NCCc3nccn3Cc3ccccc3)cc12.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SUDWNVYEJHZPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5OS/c1-17-19-15-22(33-25(19)31(29-17)21-10-6-5-9-20(21)26)24(32)28-12-11-23-27-13-14-30(23)16-18-7-3-2-4-8-18/h2-10,13-15H,11-12,16H2,1H3,(H,28,32).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 476.01 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 134027528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).