1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

C18H19BrN2O2 — CID 2945490

IUPAC1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1nn(CC(O)COc2ccc3ccccc3c2)c(C)c1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-18(19)13(2)21(20-12)10-16(22)11-23-17-8-7-14-5-3-4-6-15(14)9-17/h3-9,16,22H,10-11H2,1-2H3
InChIKeyJMDMPWCXGKOCQK-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 2945490) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID2945490
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCc1nn(CC(O)COc2ccc3ccccc3c2)c(C)c1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-18(19)13(2)21(20-12)10-16(22)11-23-17-8-7-14-5-3-4-6-15(14)9-17/h3-9,16,22H,10-11H2,1-2H3
InChIKeyJMDMPWCXGKOCQK-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (CID 2945490) is 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is Cc1nn(CC(O)COc2ccc3ccccc3c2)c(C)c1Br.
What is the InChIKey of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is JMDMPWCXGKOCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-18(19)13(2)21(20-12)10-16(22)11-23-17-8-7-14-5-3-4-6-15(14)9-17/h3-9,16,22H,10-11H2,1-2H3.
What are the key properties of 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 375.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 2945490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).