1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol

C18H19N3O — CID 155902994

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol
SMILESCc1cc(C)n(CC/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C18H19N3O/c1-13-11-14(2)21(20-13)10-9-19-12-17-16-6-4-3-5-15(16)7-8-18(17)22/h3-8,11-12,22H,9-10H2,1-2H3/b19-12+
InChIKeyHKMDKEFCYISIEE-XDHOZWIPSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds4

About 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol

1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol (PubChem CID 155902994) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol
PubChem CID155902994
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol
SMILESCc1cc(C)n(CC/N=C/c2c(O)ccc3ccccc23)n1
InChIInChI=1S/C18H19N3O/c1-13-11-14(2)21(20-13)10-9-19-12-17-16-6-4-3-5-15(16)7-8-18(17)22/h3-8,11-12,22H,9-10H2,1-2H3/b19-12+
InChIKeyHKMDKEFCYISIEE-XDHOZWIPSA-N
XLogP3.48
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde [3-hydroxyestra-1,3,5(10)-trien-17-ylidene]hydrazone
CID 9650676
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
3-[[5-Methyl-3-(2-methylphenyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
CID 156634980
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135541142
1-ethyl-5-methyl-1H-pyrazole-4-carbaldehyde [3-hydroxyestra-1,3,5(10)-trien-17-ylidene]hydrazone
CID 9620579
4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
1-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)imino]methyl}-2-naphthol
CID 780497
2,6-Di-tert-butyl-4-[2-(1,5-dimethyl-1H-pyrazol-3-yl)-vinyl]-phenol
CID 135827482
2,6-Di-tert-butyl-4-[2-(2,5-dimethyl-2H-pyrazol-3-yl)-vinyl]-phenol
CID 135827490

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol (CID 155902994) is 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol is Cc1cc(C)n(CC/N=C/c2c(O)ccc3ccccc23)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol?
The InChIKey is HKMDKEFCYISIEE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-11-14(2)21(20-13)10-9-19-12-17-16-6-4-3-5-15(16)7-8-18(17)22/h3-8,11-12,22H,9-10H2,1-2H3/b19-12+.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol?
1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol has a molecular weight of 293.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)ethyliminomethyl]naphthalen-2-ol is sourced from PubChem (CID 155902994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).