N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

C20H18N4OS — CID 2369712

IUPACN'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NNC3=C4C=CC[C@@H]4C3)cc12
InChIInChI=1S/C20H18N4OS/c1-12-16-11-18(19(25)22-21-17-10-13-6-5-9-15(13)17)26-20(16)24(23-12)14-7-3-2-4-8-14/h2-5,7-9,11,13,21H,6,10H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyZOXGJWBPYMYLHM-CYBMUJFWSA-N
MW362.46 g/mol
LogP3.86
Rot. Bonds4

About N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (PubChem CID 2369712) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
PubChem CID2369712
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)NNC3=C4C=CC[C@@H]4C3)cc12
InChIInChI=1S/C20H18N4OS/c1-12-16-11-18(19(25)22-21-17-10-13-6-5-9-15(13)17)26-20(16)24(23-12)14-7-3-2-4-8-14/h2-5,7-9,11,13,21H,6,10H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyZOXGJWBPYMYLHM-CYBMUJFWSA-N
XLogP3.86
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
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'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 26187387
3-methyl-1-phenyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119450686
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
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-methyl-1-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 2001164
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 110878293

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The IUPAC name of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (CID 2369712) is N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is Cc1nn(-c2ccccc2)c2sc(C(=O)NNC3=C4C=CC[C@@H]4C3)cc12.
What is the InChIKey of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The InChIKey is ZOXGJWBPYMYLHM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-12-16-11-18(19(25)22-21-17-10-13-6-5-9-15(13)17)26-20(16)24(23-12)14-7-3-2-4-8-14/h2-5,7-9,11,13,21H,6,10H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide has a molecular weight of 362.46 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-6-bicyclo[3.2.0]hepta-3,5-dienyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 2369712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).