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

C16H20N4O3 — CID 136884266

IUPACN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc(C(C)C)[nH]n2)ccc1O
InChIInChI=1S/C16H20N4O3/c1-4-23-15-7-11(5-6-14(15)21)9-17-20-16(22)13-8-12(10(2)3)18-19-13/h5-10,21H,4H2,1-3H3,(H,18,19)(H,20,22)/b17-9-
InChIKeyYENJMXGCDGCNDB-MFOYZWKCSA-N
MW316.36 g/mol
LogP2.40
Rot. Bonds6

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

N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 136884266) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID136884266
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cc(C(C)C)[nH]n2)ccc1O
InChIInChI=1S/C16H20N4O3/c1-4-23-15-7-11(5-6-14(15)21)9-17-20-16(22)13-8-12(10(2)3)18-19-13/h5-10,21H,4H2,1-3H3,(H,18,19)(H,20,22)/b17-9-
InChIKeyYENJMXGCDGCNDB-MFOYZWKCSA-N
XLogP2.40
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-[(4-fluorophenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 761805
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(2-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 136700627
5-propan-2-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 761807
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 135667003
3-(4-bromophenyl)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 1184999
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135581297
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
3-(3,4-dimethylphenyl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135606370
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603999
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 136884266) is N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCOc1cc(/C=N\NC(=O)c2cc(C(C)C)[nH]n2)ccc1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is YENJMXGCDGCNDB-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-4-23-15-7-11(5-6-14(15)21)9-17-20-16(22)13-8-12(10(2)3)18-19-13/h5-10,21H,4H2,1-3H3,(H,18,19)(H,20,22)/b17-9-.
What are the key properties of N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136884266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).