1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide

C17H18N6O — CID 26121643

IUPAC1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C17H18N6O/c1-12-8-13(2)20-17(19-12)22-21-16(24)15-9-18-23(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyFQDYKSLWHAAOLM-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.10
Rot. Bonds5

About 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide

1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide (PubChem CID 26121643) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide
PubChem CID26121643
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2cnn(Cc3ccccc3)c2)n1
InChIInChI=1S/C17H18N6O/c1-12-8-13(2)20-17(19-12)22-21-16(24)15-9-18-23(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyFQDYKSLWHAAOLM-UHFFFAOYSA-N
XLogP2.10
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.10
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

N'-(1-benzylpyrazole-4-carbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541606
1-benzylpyrazole-4-carbohydrazide
CID 83386286
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 9185448
1-benzyl-N-[2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 42894629
1-benzyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 27230847
1-benzyl-N-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrazole-4-carboxamide
CID 155913353
1-benzyl-N-(2-ethyl-2-hydroxybutyl)pyrazole-4-carboxamide
CID 111483220
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(2-amino-2-ethylbutyl)-1-benzylpyrazole-4-carboxamide
CID 119641319
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide (CID 26121643) is 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide is Cc1cc(C)nc(NNC(=O)c2cnn(Cc3ccccc3)c2)n1.
What is the InChIKey of 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide?
The InChIKey is FQDYKSLWHAAOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-12-8-13(2)20-17(19-12)22-21-16(24)15-9-18-23(11-15)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide?
1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide has a molecular weight of 322.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 26121643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).