N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

C23H27N5O2 — CID 135683458

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)c(O)c1
InChIInChI=1S/C23H27N5O2/c1-5-28(6-2)19-10-9-18(22(29)12-19)14-24-27-23(30)21-13-20(25-26-21)17-8-7-15(3)16(4)11-17/h7-14,29H,5-6H2,1-4H3,(H,25,26)(H,27,30)/b24-14+
InChIKeyXCUJIDWBUKGQQV-ZVHZXABRSA-N
MW405.50 g/mol
LogP4.01
Rot. Bonds7

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135683458) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135683458
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)c(O)c1
InChIInChI=1S/C23H27N5O2/c1-5-28(6-2)19-10-9-18(22(29)12-19)14-24-27-23(30)21-13-20(25-26-21)17-8-7-15(3)16(4)11-17/h7-14,29H,5-6H2,1-4H3,(H,25,26)(H,27,30)/b24-14+
InChIKeyXCUJIDWBUKGQQV-ZVHZXABRSA-N
XLogP4.01
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.01
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

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 5450584
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 135684320
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 136803227
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
5-tert-butyl-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 135842393
3-(3,4-dimethylphenyl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6890947
3-(3,4-dimethylphenyl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135606370
3-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-5-carboxamide
CID 1184953
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869653

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 135683458) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XCUJIDWBUKGQQV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-5-28(6-2)19-10-9-18(22(29)12-19)14-24-27-23(30)21-13-20(25-26-21)17-8-7-15(3)16(4)11-17/h7-14,29H,5-6H2,1-4H3,(H,25,26)(H,27,30)/b24-14+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135683458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).