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

C14H14N4O2 — CID 135457660

IUPAC5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14N4O2/c19-11-5-1-9(2-6-11)8-15-18-14(20)13-7-12(16-17-13)10-3-4-10/h1-2,5-8,10,19H,3-4H2,(H,16,17)(H,18,20)/b15-8+
InChIKeyGHOCOWBTHABFQD-OVCLIPMQSA-N
MW270.29 g/mol
LogP1.76
Rot. Bonds4

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

5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 135457660) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID135457660
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H14N4O2/c19-11-5-1-9(2-6-11)8-15-18-14(20)13-7-12(16-17-13)10-3-4-10/h1-2,5-8,10,19H,3-4H2,(H,16,17)(H,18,20)/b15-8+
InChIKeyGHOCOWBTHABFQD-OVCLIPMQSA-N
XLogP1.76
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.76
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'}

Analyze 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135521505
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136227368
3-cyclopropyl-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135446778

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 135457660) is 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is GHOCOWBTHABFQD-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-11-5-1-9(2-6-11)8-15-18-14(20)13-7-12(16-17-13)10-3-4-10/h1-2,5-8,10,19H,3-4H2,(H,16,17)(H,18,20)/b15-8+.
What are the key properties of 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135457660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).