2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

C14H14N4O4 — CID 5403957

IUPAC2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)O)n[nH]1
InChIInChI=1S/C14H14N4O4/c1-9-6-11(17-16-9)14(21)18-15-7-10-4-2-3-5-12(10)22-8-13(19)20/h2-7H,8H2,1H3,(H,16,17)(H,18,21)(H,19,20)/b15-7-
InChIKeyFUZNPOCHADNEAW-CHHVJCJISA-N
MW302.29 g/mol
LogP0.95
Rot. Bonds6

About 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 5403957) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID5403957
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)O)n[nH]1
InChIInChI=1S/C14H14N4O4/c1-9-6-11(17-16-9)14(21)18-15-7-10-4-2-3-5-12(10)22-8-13(19)20/h2-7H,8H2,1H3,(H,16,17)(H,18,21)(H,19,20)/b15-7-
InChIKeyFUZNPOCHADNEAW-CHHVJCJISA-N
XLogP0.95
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6890868
2-[2-[(Z)-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5450271
2-[2-[(Z)-[(4-bromo-1H-pyrrole-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 8982713
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
2-[2-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 2039528
5-cyclopropyl-N-[(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 940139
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5402501
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9215631
2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2331809
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136728469

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 5403957) is 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is Cc1cc(C(=O)N/N=C\c2ccccc2OCC(=O)O)n[nH]1.
What is the InChIKey of 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is FUZNPOCHADNEAW-CHHVJCJISA-N. The full InChI is InChI=1S/C14H14N4O4/c1-9-6-11(17-16-9)14(21)18-15-7-10-4-2-3-5-12(10)22-8-13(19)20/h2-7H,8H2,1H3,(H,16,17)(H,18,21)(H,19,20)/b15-7-.
What are the key properties of 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 302.29 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 5403957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).