N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

C22H20N4O3S — CID 26187387

IUPACN'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C22H20N4O3S/c1-3-29-17-11-9-15(10-12-17)20(27)23-24-21(28)19-13-18-14(2)25-26(22(18)30-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyVDGGKYXTLMWLNS-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.87
Rot. Bonds5

About N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide

N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (PubChem CID 26187387) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
PubChem CID26187387
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1
InChIInChI=1S/C22H20N4O3S/c1-3-29-17-11-9-15(10-12-17)20(27)23-24-21(28)19-13-18-14(2)25-26(22(18)30-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyVDGGKYXTLMWLNS-UHFFFAOYSA-N
XLogP3.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-ethoxyphenyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 53034790
N-(4-methylphenyl)-4-[[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 4848832
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-(4-ethoxyphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092214
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-(3-butoxypropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 27682809
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2355904
N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119505833
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
2-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoic acid
CID 119199736
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The IUPAC name of N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide (CID 26187387) is N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The canonical SMILES for N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is CCOc1ccc(C(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1.
What is the InChIKey of N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
The InChIKey is VDGGKYXTLMWLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-3-29-17-11-9-15(10-12-17)20(27)23-24-21(28)19-13-18-14(2)25-26(22(18)30-19)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide?
N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide has a molecular weight of 420.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxybenzoyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide is sourced from PubChem (CID 26187387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).