4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide

C22H22N4O2 — CID 135718787

IUPAC4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
SMILESC=CCc1cccc(/C=N/c2cnn(C)c2C(=O)Nc2cccc(C)c2)c1O
InChIInChI=1S/C22H22N4O2/c1-4-7-16-9-6-10-17(21(16)27)13-23-19-14-24-26(3)20(19)22(28)25-18-11-5-8-15(2)12-18/h4-6,8-14,27H,1,7H2,2-3H3,(H,25,28)/b23-13+
InChIKeyQSOBBKXPJUMMQT-YDZHTSKRSA-N
MW374.44 g/mol
LogP4.17
Rot. Bonds6

About 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide

4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 135718787) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID135718787
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
SMILESC=CCc1cccc(/C=N/c2cnn(C)c2C(=O)Nc2cccc(C)c2)c1O
InChIInChI=1S/C22H22N4O2/c1-4-7-16-9-6-10-17(21(16)27)13-23-19-14-24-26(3)20(19)22(28)25-18-11-5-8-15(2)12-18/h4-6,8-14,27H,1,7H2,2-3H3,(H,25,28)/b23-13+
InChIKeyQSOBBKXPJUMMQT-YDZHTSKRSA-N
XLogP4.17
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 1100731
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5213050
4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
CID 19576393
2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-6-prop-2-enylphenol
CID 750368
N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247938
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 3606086
2-hydroxy-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]benzamide
CID 135715804
N-(4-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]oxamide
CID 136822704
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
2-(3-chloroanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135533730
N-[4-[[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 135957410
2-(4-chloro-2-methylanilino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135421756

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide (CID 135718787) is 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide is C=CCc1cccc(/C=N/c2cnn(C)c2C(=O)Nc2cccc(C)c2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is QSOBBKXPJUMMQT-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-4-7-16-9-6-10-17(21(16)27)13-23-19-14-24-26(3)20(19)22(28)25-18-11-5-8-15(2)12-18/h4-6,8-14,27H,1,7H2,2-3H3,(H,25,28)/b23-13+.
What are the key properties of 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide?
4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 135718787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).