3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide

C18H15N5OS — CID 135614460

IUPAC3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc[nH]3)cc12
InChIInChI=1S/C18H15N5OS/c1-12-15-10-16(17(24)21-20-11-13-6-5-9-19-13)25-18(15)23(22-12)14-7-3-2-4-8-14/h2-11,19H,1H3,(H,21,24)/b20-11+
InChIKeyNEQZKAKBKKJKNO-RGVLZGJSSA-N
MW349.42 g/mol
LogP3.49
Rot. Bonds4

About 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 135614460) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID135614460
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc[nH]3)cc12
InChIInChI=1S/C18H15N5OS/c1-12-15-10-16(17(24)21-20-11-13-6-5-9-19-13)25-18(15)23(22-12)14-7-3-2-4-8-14/h2-11,19H,1H3,(H,21,24)/b20-11+
InChIKeyNEQZKAKBKKJKNO-RGVLZGJSSA-N
XLogP3.49
TPSA75.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 6883523
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 135536429
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 6869003
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-methyl-N-[(E)-oxolan-3-ylmethylideneamino]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 75413611
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096781
3-methyl-1-phenyl-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 29096780
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
3-methyl-1-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]thieno[3,2-d]pyrazole-5-carboxamide
CID 6902021

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide (CID 135614460) is 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc[nH]3)cc12.
What is the InChIKey of 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NEQZKAKBKKJKNO-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-12-15-10-16(17(24)21-20-11-13-6-5-9-19-13)25-18(15)23(22-12)14-7-3-2-4-8-14/h2-11,19H,1H3,(H,21,24)/b20-11+.
What are the key properties of 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-[(E)-1H-pyrrol-2-ylmethylideneamino]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 135614460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).