N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C22H21N3OS — CID 56522692

IUPACN-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC(C)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C22H21N3OS/c1-15-18-14-19(27-21(18)25(3)24-15)20(26)23-22(2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,1-3H3,(H,23,26)
InChIKeyXMQGBFYXEIKFFM-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.64
Rot. Bonds4

About N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 56522692) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID56522692
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC NameN-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NC(C)(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C22H21N3OS/c1-15-18-14-19(27-21(18)25(3)24-15)20(26)23-22(2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,1-3H3,(H,23,26)
InChIKeyXMQGBFYXEIKFFM-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-methylbutanoic acid
CID 79792816
2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-ethylbutanoic acid
CID 79813521
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878293
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
1,3-dimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304942
(2R)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]propanoic acid
CID 54990433
2-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 119199736
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614

Frequently Asked Questions

What is the IUPAC name of N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 56522692) is N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NC(C)(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XMQGBFYXEIKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-15-18-14-19(27-21(18)25(3)24-15)20(26)23-22(2,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-14H,1-3H3,(H,23,26).
What are the key properties of N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 56522692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).