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

C15H18N4O2 — CID 135641966

IUPACN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccccc1O
InChIInChI=1S/C15H18N4O2/c1-9(2)12-8-13(18-17-12)15(21)19-16-10(3)11-6-4-5-7-14(11)20/h4-9,20H,1-3H3,(H,17,18)(H,19,21)/b16-10+
InChIKeyLKLJRGKJUSGKTF-MHWRWJLKSA-N
MW286.33 g/mol
LogP2.39
Rot. Bonds4

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

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 135641966) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID135641966
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccccc1O
InChIInChI=1S/C15H18N4O2/c1-9(2)12-8-13(18-17-12)15(21)19-16-10(3)11-6-4-5-7-14(11)20/h4-9,20H,1-3H3,(H,17,18)(H,19,21)/b16-10+
InChIKeyLKLJRGKJUSGKTF-MHWRWJLKSA-N
XLogP2.39
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135645043
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
5-(4-Isobutoxy-phenyl)-2H-pyrazole-3-carboxylic acid hydrazide
CID 946051
(Z)-N'-(1-(3-hydroxyphenyl)ethylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 5920316
3-tert-butyl-N'-(2,4-dihydroxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135411687
N'-[1-(2-hydroxyphenyl)ethylidene]-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 135425009
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
N'-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135521412
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 135641966) is N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is LKLJRGKJUSGKTF-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9(2)12-8-13(18-17-12)15(21)19-16-10(3)11-6-4-5-7-14(11)20/h4-9,20H,1-3H3,(H,17,18)(H,19,21)/b16-10+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135641966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).