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

C22H19N3O — CID 671056

IUPAC1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol
SMILESCc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C22H19N3O/c1-15-22(16(2)25(24-15)18-9-4-3-5-10-18)23-14-20-19-11-7-6-8-17(19)12-13-21(20)26/h3-14,26H,1-2H3/b23-14+
InChIKeyCUFROPAPALHYCN-OEAKJJBVSA-N
MW341.41 g/mol
LogP5.10
Rot. Bonds3

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

1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol (PubChem CID 671056) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol
PubChem CID671056
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol
SMILESCc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C22H19N3O/c1-15-22(16(2)25(24-15)18-9-4-3-5-10-18)23-14-20-19-11-7-6-8-17(19)12-13-21(20)26/h3-14,26H,1-2H3/b23-14+
InChIKeyCUFROPAPALHYCN-OEAKJJBVSA-N
XLogP5.10
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.10
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-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
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-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
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-[[4-(3,5-Ditert-butylpyrazol-1-yl)phenyl]iminomethyl]phenol
CID 2742051
4-(4-Naphthalen-1-yltriazol-1-yl)phenol
CID 52944810
(6aR,11aS)-7,7,11a-trimethyl-8-phenyl-4-propan-2-yl-5,6,6a,11-tetrahydronaphtho[1,2-f]indazol-3-ol
CID 71451251
4-(4-Ethyl-1,5-diphenyl-1H-pyrazol-3-yl)phenol
CID 135409791
1-Phenyl-4,5-dihydrobenzo[g]indazol-7-ol
CID 136069439
2-(1-Phenylpyrazol-3-yl)-4-propylphenol
CID 155529835

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol (CID 671056) is 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol is Cc1nn(-c2ccccc2)c(C)c1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is CUFROPAPALHYCN-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-22(16(2)25(24-15)18-9-4-3-5-10-18)23-14-20-19-11-7-6-8-17(19)12-13-21(20)26/h3-14,26H,1-2H3/b23-14+.
What are the key properties of 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol?
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 341.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 671056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).