1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol

C17H17N3O — CID 780497

IUPAC1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol
SMILESCc1nn(C)c(C)c1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H17N3O/c1-11-17(12(2)20(3)19-11)18-10-15-14-7-5-4-6-13(14)8-9-16(15)21/h4-10,21H,1-3H3/b18-10+
InChIKeyRZIALXYIRNOGAQ-VCHYOVAHSA-N
MW279.34 g/mol
LogP3.65
Rot. Bonds2

About 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol

1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol (PubChem CID 780497) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol
PubChem CID780497
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol
SMILESCc1nn(C)c(C)c1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C17H17N3O/c1-11-17(12(2)20(3)19-11)18-10-15-14-7-5-4-6-13(14)8-9-16(15)21/h4-10,21H,1-3H3/b18-10+
InChIKeyRZIALXYIRNOGAQ-VCHYOVAHSA-N
XLogP3.65
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.65
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
(e)-3-(3,5-Dimethyl-1h-pyrazol-1-yl)-n'-((2-hydroxynaphthalen-1-yl)methylene)propanehydrazide
CID 135541142
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
6-(3-Hydroxyphenyl)-1-(1-methylpyrazol-4-yl)naphthalen-2-ol
CID 50942605
1-{(E)-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)imino]methyl}naphthalen-2-ol
CID 671056
1-(5-Methyl-1-phenyl-pyrazol-3-yl)naphthalen-2-ol
CID 135465490
1-Benzotriazol-1-ylmethyl-naphthalen-2-OL
CID 4251724
2-(2-Methylpyrazol-3-yl)naphthalen-1-ol
CID 135453834
6-(1-Methylpyrazol-3-yl)tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 136259458
N'-[(2-hydroxy-1-naphthyl)methylene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135533788

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol (CID 780497) is 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol is Cc1nn(C)c(C)c1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is RZIALXYIRNOGAQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-17(12(2)20(3)19-11)18-10-15-14-7-5-4-6-13(14)8-9-16(15)21/h4-10,21H,1-3H3/b18-10+.
What are the key properties of 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 279.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3,5-trimethylpyrazol-4-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 780497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).