1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol

C15H22N2O2 — CID 155559987

IUPAC1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol
SMILESOCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C15H22N2O2/c18-8-13(19)12-4-14(17-16-12)15-5-9-1-10(6-15)3-11(2-9)7-15/h4,9-11,13,18-19H,1-3,5-8H2,(H,16,17)
InChIKeyNRLIOGXKRPBEOQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds3

About 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol

1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol (PubChem CID 155559987) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol
PubChem CID155559987
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol
SMILESOCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1
InChIInChI=1S/C15H22N2O2/c18-8-13(19)12-4-14(17-16-12)15-5-9-1-10(6-15)3-11(2-9)7-15/h4,9-11,13,18-19H,1-3,5-8H2,(H,16,17)
InChIKeyNRLIOGXKRPBEOQ-UHFFFAOYSA-N
XLogP1.90
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopropyl-1H-pyrazol-3-yl)ethane-1,2-diol
CID 155511544
1-(3-propan-2-yl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155533595
1-(5-cyclopentyl-1H-pyrazol-3-yl)ethane-1,2-diol
CID 155547678
3-(1-adamantyl)-5-(1,4-dioxaspiro[4.5]decan-3-yl)-1H-pyrazole
CID 155552950
3-[1-Adamantyl(hydroxyl)methyl]-5-hydroxymethyl-1h-pyrazole
CID 129798613
1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
CID 135157651
1-(5-ethyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)propan-1-ol
CID 142591776
[3-(adamantan-1-yl)-1H-pyrazol-5-yl]methanol
CID 11806543
(3-cyclohexyl-1H-pyrazol-5-yl)methanol
CID 65719175
3-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)propan-1-ol
CID 83831398
2-[3-(1-adamantyl)-1H-pyrazol-5-yl]-3-aminopropan-1-ol
CID 84099573
[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol
CID 95732661

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol (CID 155559987) is 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol is OCC(O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1.
What is the InChIKey of 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol?
The InChIKey is NRLIOGXKRPBEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-8-13(19)12-4-14(17-16-12)15-5-9-1-10(6-15)3-11(2-9)7-15/h4,9-11,13,18-19H,1-3,5-8H2,(H,16,17).
What are the key properties of 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol?
1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol has a molecular weight of 262.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-adamantyl)-1H-pyrazol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 155559987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).