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

C19H19ClN6OS — CID 86906254

IUPAC1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1
InChIInChI=1S/C19H19ClN6OS/c1-3-25-11-22-23-17(25)8-9-21-18(27)16-10-13-12(2)24-26(19(13)28-16)15-7-5-4-6-14(15)20/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,27)
InChIKeyMXSZTXVFGRXVBL-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.63
Rot. Bonds6

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

1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 86906254) has the molecular formula C19H19ClN6OS and a molecular weight of 414.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID86906254
Molecular FormulaC19H19ClN6OS
Molecular Weight414.92 g/mol
Exact Mass414.10
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1
InChIInChI=1S/C19H19ClN6OS/c1-3-25-11-22-23-17(25)8-9-21-18(27)16-10-13-12(2)24-26(19(13)28-16)15-7-5-4-6-14(15)20/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,27)
InChIKeyMXSZTXVFGRXVBL-UHFFFAOYSA-N
XLogP3.63
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 86935578
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
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 134027528
1-(2-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55805890
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 120944170
1-(2-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16546983
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 24610172
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-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119617320

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 86906254) is 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is CCn1cnnc1CCNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is MXSZTXVFGRXVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6OS/c1-3-25-11-22-23-17(25)8-9-21-18(27)16-10-13-12(2)24-26(19(13)28-16)15-7-5-4-6-14(15)20/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,27).
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 86906254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).