N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide

C25H24N4O2 — CID 135554391

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C25H24N4O2/c1-16(2)13-17-7-9-19(10-8-17)22-14-23(28-27-22)25(31)29-26-15-21-20-6-4-3-5-18(20)11-12-24(21)30/h3-12,14-16,30H,13H2,1-2H3,(H,27,28)(H,29,31)/b26-15+
InChIKeyYSNNKSBFCRCBTA-CVKSISIWSA-N
MW412.49 g/mol
LogP4.90
Rot. Bonds6

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 135554391) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID135554391
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1
InChIInChI=1S/C25H24N4O2/c1-16(2)13-17-7-9-19(10-8-17)22-14-23(28-27-22)25(31)29-26-15-21-20-6-4-3-5-18(20)11-12-24(21)30/h3-12,14-16,30H,13H2,1-2H3,(H,27,28)(H,29,31)/b26-15+
InChIKeyYSNNKSBFCRCBTA-CVKSISIWSA-N
XLogP4.90
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.90
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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Related Compounds

N'-[(2-hydroxynaphthalen-1-yl)methylidene]-3-(naphthalen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135515522
6-(2-Ethyl-4-Hydroxyphenyl)-1h-Indazole-3-Carboxamide
CID 135567294
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1836662
5-(2-hydroxy-4,5-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1848114
N'-[(E)-(2-methoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 5344275
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135550918
(E)-N'-((2-hydroxynaphthalen-1-yl)methylene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 135458722
2-[(E)-({[3-(1,2-dihydroacenaphthylen-5-yl)-1H-pyrazol-5-yl]carbonyl}hydrazono)methyl]benzoic acid
CID 6865086
N'-(5-tert-butyl-2-hydroxybenzylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135473308
4-bromo-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135517071
N'-[(Z)-(3,5-DI-Tert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135693595
N'-[(E)-(2-ethoxynaphthalen-1-yl)methylidene]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 9556534

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide (CID 135554391) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide is CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)cc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YSNNKSBFCRCBTA-CVKSISIWSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16(2)13-17-7-9-19(10-8-17)22-14-23(28-27-22)25(31)29-26-15-21-20-6-4-3-5-18(20)11-12-24(21)30/h3-12,14-16,30H,13H2,1-2H3,(H,27,28)(H,29,31)/b26-15+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[4-(2-methylpropyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135554391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).