2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol

C19H28N6O — CID 68737660

IUPAC2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol
SMILESCCn1ccc(CC(Cc2cc(C)n(CCO)n2)c2cc(C)n(C)n2)n1
InChIInChI=1S/C19H28N6O/c1-5-24-7-6-17(20-24)12-16(19-11-14(2)23(4)22-19)13-18-10-15(3)25(21-18)8-9-26/h6-7,10-11,16,26H,5,8-9,12-13H2,1-4H3
InChIKeyCOKQOHNGRALKFQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.01
Rot. Bonds8

About 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol

2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol (PubChem CID 68737660) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol
PubChem CID68737660
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol
SMILESCCn1ccc(CC(Cc2cc(C)n(CCO)n2)c2cc(C)n(C)n2)n1
InChIInChI=1S/C19H28N6O/c1-5-24-7-6-17(20-24)12-16(19-11-14(2)23(4)22-19)13-18-10-15(3)25(21-18)8-9-26/h6-7,10-11,16,26H,5,8-9,12-13H2,1-4H3
InChIKeyCOKQOHNGRALKFQ-UHFFFAOYSA-N
XLogP2.01
TPSA73.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol (CID 68737660) is 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol is CCn1ccc(CC(Cc2cc(C)n(CCO)n2)c2cc(C)n(C)n2)n1.
What is the InChIKey of 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol?
The InChIKey is COKQOHNGRALKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-5-24-7-6-17(20-24)12-16(19-11-14(2)23(4)22-19)13-18-10-15(3)25(21-18)8-9-26/h6-7,10-11,16,26H,5,8-9,12-13H2,1-4H3.
What are the key properties of 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol?
2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol has a molecular weight of 356.47 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1,5-dimethylpyrazol-3-yl)-3-(1-ethylpyrazol-3-yl)propyl]-5-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 68737660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).