3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide

C14H18N4O2 — CID 946051

IUPAC3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide
SMILESCC(C)COc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1
InChIInChI=1S/C14H18N4O2/c1-9(2)8-20-11-5-3-10(4-6-11)12-7-13(18-17-12)14(19)16-15/h3-7,9H,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyCVQOAPHKFXRXIH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.72
Rot. Bonds5

About 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide

3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide (PubChem CID 946051) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide
PubChem CID946051
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide
SMILESCC(C)COc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1
InChIInChI=1S/C14H18N4O2/c1-9(2)8-20-11-5-3-10(4-6-11)12-7-13(18-17-12)14(19)16-15/h3-7,9H,8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyCVQOAPHKFXRXIH-UHFFFAOYSA-N
XLogP1.72
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 589142
3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 1243311
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 785587
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide?
The IUPAC name of 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide (CID 946051) is 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide is CC(C)COc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1.
What is the InChIKey of 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide?
The InChIKey is CVQOAPHKFXRXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)8-20-11-5-3-10(4-6-11)12-7-13(18-17-12)14(19)16-15/h3-7,9H,8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide?
3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide has a molecular weight of 274.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropoxy)phenyl]-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 946051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).