5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C16H18N4O3 — CID 135648744

IUPAC5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)c1O
InChIInChI=1S/C16H18N4O3/c1-2-23-14-5-3-4-11(15(14)21)9-17-20-16(22)13-8-12(18-19-13)10-6-7-10/h3-5,8-10,21H,2,6-7H2,1H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyMEXIFMUBPYFJES-RQZCQDPDSA-N
MW314.35 g/mol
LogP2.16
Rot. Bonds6

About 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 135648744) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID135648744
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESCCOc1cccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)c1O
InChIInChI=1S/C16H18N4O3/c1-2-23-14-5-3-4-11(15(14)21)9-17-20-16(22)13-8-12(18-19-13)10-6-7-10/h3-5,8-10,21H,2,6-7H2,1H3,(H,18,19)(H,20,22)/b17-9+
InChIKeyMEXIFMUBPYFJES-RQZCQDPDSA-N
XLogP2.16
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide
CID 135641899
3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 785587
(E)-3-cyclopropyl-N'-(3,4-dimethoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 6867422
(E)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-(4-hydroxy-3-methoxybenzylidene)propanehydrazide
CID 135476871
3-cyclopropyl-N'-[(1E)-(3-ethoxy-4-hydroxyphenyl)methylene]-1H-pyrazole-5-carbohydrazide
CID 135439776
N'-(3-Ethoxy-4-HO-benzylidene)-3-(3-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 135405834
N'-(2-HO-3-Methoxybenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 135423289
3-(1-adamantyl)-N'-(4-hydroxy-3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135501774
(E)-3-(benzo[d][1,3]dioxol-5-yl)-N'-(4-hydroxy-3-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 135521453
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4,5-dihydro-1H-benzo[g]indazole-3-carbohydrazide
CID 135521476
3-(1,3-benzodioxol-5-yl)-N'-[(E)-(2-hydroxyphenyl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135554384

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 135648744) is 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is CCOc1cccc(/C=N/NC(=O)c2cc(C3CC3)[nH]n2)c1O.
What is the InChIKey of 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is MEXIFMUBPYFJES-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-23-14-5-3-4-11(15(14)21)9-17-20-16(22)13-8-12(18-19-13)10-6-7-10/h3-5,8-10,21H,2,6-7H2,1H3,(H,18,19)(H,20,22)/b17-9+.
What are the key properties of 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135648744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).