N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide

C19H17N5O3 — CID 46651724

IUPACN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C19H17N5O3/c1-12-16(13(2)24(23-12)15-8-4-3-5-9-15)17(25)19(27)22-21-18(26)14-7-6-10-20-11-14/h3-11H,1-2H3,(H,21,26)(H,22,27)
InChIKeyVHSCDZLDBAHBJN-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.53
Rot. Bonds4

About N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide

N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide (PubChem CID 46651724) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide
PubChem CID46651724
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1cccnc1
InChIInChI=1S/C19H17N5O3/c1-12-16(13(2)24(23-12)15-8-4-3-5-9-15)17(25)19(27)22-21-18(26)14-7-6-10-20-11-14/h3-11H,1-2H3,(H,21,26)(H,22,27)
InChIKeyVHSCDZLDBAHBJN-UHFFFAOYSA-N
XLogP1.53
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-3-carboxamide
CID 99818669
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 27760714
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide
CID 86825790
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(6-phenylmethoxy-3-pyridinyl)acetamide
CID 55879441
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)pyridine-3-carbohydrazide
CID 26721272
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
N-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]phenyl]cyclopropanecarboxamide
CID 26059043
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-(2-hydroxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19472293
2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55493349

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide (CID 46651724) is N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1cccnc1.
What is the InChIKey of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide?
The InChIKey is VHSCDZLDBAHBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-12-16(13(2)24(23-12)15-8-4-3-5-9-15)17(25)19(27)22-21-18(26)14-7-6-10-20-11-14/h3-11H,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide?
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide has a molecular weight of 363.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]pyridine-3-carbohydrazide is sourced from PubChem (CID 46651724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).