4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide

C12H15N5O — CID 3067263

IUPAC4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide
SMILESCc1ccc(NNC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C12H15N5O/c1-7-3-5-9(6-4-7)15-17-12(18)11-10(13)8(2)14-16-11/h3-6,15H,13H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyDZKZLUXSSOKXAV-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.37
Rot. Bonds3

About 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide

4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 3067263) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide
PubChem CID3067263
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide
SMILESCc1ccc(NNC(=O)c2n[nH]c(C)c2N)cc1
InChIInChI=1S/C12H15N5O/c1-7-3-5-9(6-4-7)15-17-12(18)11-10(13)8(2)14-16-11/h3-6,15H,13H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyDZKZLUXSSOKXAV-UHFFFAOYSA-N
XLogP1.37
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-cyclopropyl-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide
CID 1828737
3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide
CID 4028568
5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6888929
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
N'-Benzylidene-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6867349
N'-[(E,2Z)-2-bromo-3-phenyl-2-propenylidene]-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6889167
5-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 5343037
3-tert-butyl-N'-(1-methyl-2-phenylethylidene)-1H-pyrazole-5-carbohydrazide
CID 5409281
4-methyl-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 3116416

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide (CID 3067263) is 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide is Cc1ccc(NNC(=O)c2n[nH]c(C)c2N)cc1.
What is the InChIKey of 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is DZKZLUXSSOKXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-3-5-9(6-4-7)15-17-12(18)11-10(13)8(2)14-16-11/h3-6,15H,13H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide?
4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 245.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N'-(4-methylphenyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 3067263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).