3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

C15H18N4O2 — CID 135519133

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H18N4O2/c1-10-13(11(2)18-17-10)7-8-15(21)19-16-9-12-5-3-4-6-14(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/b16-9+
InChIKeyMDULZJIXYLGUOP-CXUHLZMHSA-N
MW286.33 g/mol
LogP1.82
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 135519133) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID135519133
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1O
InChIInChI=1S/C15H18N4O2/c1-10-13(11(2)18-17-10)7-8-15(21)19-16-9-12-5-3-4-6-14(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/b16-9+
InChIKeyMDULZJIXYLGUOP-CXUHLZMHSA-N
XLogP1.82
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 135519133) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is MDULZJIXYLGUOP-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-13(11(2)18-17-10)7-8-15(21)19-16-9-12-5-3-4-6-14(12)20/h3-6,9,20H,7-8H2,1-2H3,(H,17,18)(H,19,21)/b16-9+.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 135519133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).