3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide

C19H23N5OS — CID 119445953

IUPAC3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCNCC3)cc12
InChIInChI=1S/C19H23N5OS/c1-14-16-13-17(18(25)21-9-12-23-10-7-20-8-11-23)26-19(16)24(22-14)15-5-3-2-4-6-15/h2-6,13,20H,7-12H2,1H3,(H,21,25)
InChIKeyCCAPLEBBZAVPEI-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.03
Rot. Bonds5

About 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 119445953) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID119445953
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCNCC3)cc12
InChIInChI=1S/C19H23N5OS/c1-14-16-13-17(18(25)21-9-12-23-10-7-20-8-11-23)26-19(16)24(22-14)15-5-3-2-4-6-15/h2-6,13,20H,7-12H2,1H3,(H,21,25)
InChIKeyCCAPLEBBZAVPEI-UHFFFAOYSA-N
XLogP2.03
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3-methyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119444771
1-(4-fluorophenyl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46462449
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119505833
3,5-dimethyl-1-phenyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119444997
3-methyl-1-phenyl-N-(4-piperazin-1-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66819349
N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 78781187
diethyl-[2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethyl]azanium
CID 9315070
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 119445953) is 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)NCCN3CCNCC3)cc12.
What is the InChIKey of 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CCAPLEBBZAVPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-14-16-13-17(18(25)21-9-12-23-10-7-20-8-11-23)26-19(16)24(22-14)15-5-3-2-4-6-15/h2-6,13,20H,7-12H2,1H3,(H,21,25).
What are the key properties of 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 119445953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).