1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol

C19H22N2O3 — CID 90656803

IUPAC1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol
SMILESCOc1cc2ccc(C(O)(c3ccn[nH]3)C(C)C)cc2cc1OC
InChIInChI=1S/C19H22N2O3/c1-12(2)19(22,18-7-8-20-21-18)15-6-5-13-10-16(23-3)17(24-4)11-14(13)9-15/h5-12,22H,1-4H3,(H,20,21)
InChIKeyOPPFLHFMEGQSGN-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.47
Rot. Bonds5

About 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol

1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol (PubChem CID 90656803) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol
PubChem CID90656803
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol
SMILESCOc1cc2ccc(C(O)(c3ccn[nH]3)C(C)C)cc2cc1OC
InChIInChI=1S/C19H22N2O3/c1-12(2)19(22,18-7-8-20-21-18)15-6-5-13-10-16(23-3)17(24-4)11-14(13)9-15/h5-12,22H,1-4H3,(H,20,21)
InChIKeyOPPFLHFMEGQSGN-UHFFFAOYSA-N
XLogP3.47
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol?
The IUPAC name of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol (CID 90656803) is 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol?
The canonical SMILES for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol is COc1cc2ccc(C(O)(c3ccn[nH]3)C(C)C)cc2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol?
The InChIKey is OPPFLHFMEGQSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(2)19(22,18-7-8-20-21-18)15-6-5-13-10-16(23-3)17(24-4)11-14(13)9-15/h5-12,22H,1-4H3,(H,20,21).
What are the key properties of 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol?
1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol has a molecular weight of 326.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxynaphthalen-2-yl)-2-methyl-1-(1H-pyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 90656803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).