3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide

C19H16N6O2 — CID 136575720

IUPAC3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNc3ncnc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C19H16N6O2/c1-27-13-8-6-12(7-9-13)16-10-17(23-22-16)19(26)25-24-18-14-4-2-3-5-15(14)20-11-21-18/h2-11H,1H3,(H,22,23)(H,25,26)(H,20,21,24)
InChIKeyZJJGYEDYMDBUST-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.79
Rot. Bonds5

About 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide

3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide (PubChem CID 136575720) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide
PubChem CID136575720
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNc3ncnc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C19H16N6O2/c1-27-13-8-6-12(7-9-13)16-10-17(23-22-16)19(26)25-24-18-14-4-2-3-5-15(14)20-11-21-18/h2-11H,1H3,(H,22,23)(H,25,26)(H,20,21,24)
InChIKeyZJJGYEDYMDBUST-UHFFFAOYSA-N
XLogP2.79
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N'-quinazolin-4-ylacetohydrazide
CID 21002383
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
CID 78904333
N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803284
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-phenylpyrazole-3-carbohydrazide
CID 78868431
3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71706566
3-(4-methoxyphenyl)-N'-(4-phenylbut-1-en-2-yl)-1H-pyrazole-5-carbohydrazide
CID 2084076
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[3-(1,2-benzothiazol-3-ylamino)propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 57436494
N-[3-(1,2-benzothiazol-3-ylamino)propyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide;ethane
CID 143285535
3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
CID 78894033

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide (CID 136575720) is 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNc3ncnc4ccccc34)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide?
The InChIKey is ZJJGYEDYMDBUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-27-13-8-6-12(7-9-13)16-10-17(23-22-16)19(26)25-24-18-14-4-2-3-5-15(14)20-11-21-18/h2-11H,1H3,(H,22,23)(H,25,26)(H,20,21,24).
What are the key properties of 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide?
3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide has a molecular weight of 360.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N'-quinazolin-4-yl-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 136575720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).