N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C14H16N4O2 — CID 135659464

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C14H16N4O2/c1-9(2)12-7-13(17-16-12)14(20)18-15-8-10-3-5-11(19)6-4-10/h3-9,19H,1-2H3,(H,16,17)(H,18,20)/b15-8+
InChIKeyZYEVYKVNKPVQNF-OVCLIPMQSA-N
MW272.31 g/mol
LogP2.00
Rot. Bonds4

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 135659464) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID135659464
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C14H16N4O2/c1-9(2)12-7-13(17-16-12)14(20)18-15-8-10-3-5-11(19)6-4-10/h3-9,19H,1-2H3,(H,16,17)(H,18,20)/b15-8+
InChIKeyZYEVYKVNKPVQNF-OVCLIPMQSA-N
XLogP2.00
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135645043
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
PKM2 activator SGI-10067
CID 73212664
N-(cyclobutylmethyl)-5-cyclopropyl-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 73212665
3-cyclopropyl-N'-[(1E)-(3-ethoxy-4-hydroxyphenyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 135439776
3-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
N'-((1E)-{2-hydroxy-5-[(E)-phenyldiazenyl]phenyl}methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135497974
5-tert-Butyl-2-phenyl-2H-pyrazole-3-carboxylic acid (4-hydroxy-benzylidene)-hydrazide
CID 135498037
N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135521412

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 135659464) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N/N=C/c2ccc(O)cc2)n[nH]1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ZYEVYKVNKPVQNF-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(2)12-7-13(17-16-12)14(20)18-15-8-10-3-5-11(19)6-4-10/h3-9,19H,1-2H3,(H,16,17)(H,18,20)/b15-8+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135659464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).