N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H18N4O3 — CID 136750123

IUPACN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc(C(C)C)[nH]n2)c1O
InChIInChI=1S/C15H18N4O3/c1-9(2)11-7-12(18-17-11)15(21)19-16-8-10-5-4-6-13(22-3)14(10)20/h4-9,20H,1-3H3,(H,17,18)(H,19,21)/b16-8-
InChIKeyBRWGXEMYEJDRTC-PXNMLYILSA-N
MW302.33 g/mol
LogP2.01
Rot. Bonds5

About N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 136750123) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID136750123
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)c2cc(C(C)C)[nH]n2)c1O
InChIInChI=1S/C15H18N4O3/c1-9(2)11-7-12(18-17-11)15(21)19-16-8-10-5-4-6-13(22-3)14(10)20/h4-9,20H,1-3H3,(H,17,18)(H,19,21)/b16-8-
InChIKeyBRWGXEMYEJDRTC-PXNMLYILSA-N
XLogP2.01
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.01
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

5-propan-2-yl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 761807
N-[(4-fluorophenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 761805
2-hydroxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 136706071
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
CID 135648516
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136823985
5-cyclopropyl-N-[(2-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760855
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-methyl-7-propan-2-ylazulene-1-carboxamide
CID 163218022
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 136884266
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylpyridine-4-carboxamide
CID 146020487
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136861830

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 136750123) is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1cccc(/C=N\NC(=O)c2cc(C(C)C)[nH]n2)c1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BRWGXEMYEJDRTC-PXNMLYILSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9(2)11-7-12(18-17-11)15(21)19-16-8-10-5-4-6-13(22-3)14(10)20/h4-9,20H,1-3H3,(H,17,18)(H,19,21)/b16-8-.
What are the key properties of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136750123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).