3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C18H18N4O2S — CID 75413611

IUPAC3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/C3CCOC3)cc12
InChIInChI=1S/C18H18N4O2S/c1-12-15-9-16(17(23)20-19-10-13-7-8-24-11-13)25-18(15)22(21-12)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,20,23)/b19-10+
InChIKeyQCTLDTQREGEZMM-VXLYETTFSA-N
MW354.44 g/mol
LogP3.15
Rot. Bonds4

About 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 75413611) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID75413611
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/C3CCOC3)cc12
InChIInChI=1S/C18H18N4O2S/c1-12-15-9-16(17(23)20-19-10-13-7-8-24-11-13)25-18(15)22(21-12)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,20,23)/b19-10+
InChIKeyQCTLDTQREGEZMM-VXLYETTFSA-N
XLogP3.15
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-benzylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 6882686
N-[(2-hydroxyphenyl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1079705
3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide
CID 135614460
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 6883523
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
CID 66819242
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 135536429
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
3-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 6869003
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 7458839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 75413611) is 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/C3CCOC3)cc12.
What is the InChIKey of 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QCTLDTQREGEZMM-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-15-9-16(17(23)20-19-10-13-7-8-24-11-13)25-18(15)22(21-12)14-5-3-2-4-6-14/h2-6,9-10,13H,7-8,11H2,1H3,(H,20,23)/b19-10+.
What are the key properties of 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 75413611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).