1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol

C15H26N2O2 — CID 103452043

IUPAC1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
SMILESCC(C)n1ccc(CC(O)C2(O)CCCCCC2)n1
InChIInChI=1S/C15H26N2O2/c1-12(2)17-10-7-13(16-17)11-14(18)15(19)8-5-3-4-6-9-15/h7,10,12,14,18-19H,3-6,8-9,11H2,1-2H3
InChIKeyLJIOIGJHAPUCPH-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.45
Rot. Bonds4

About 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol

1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol (PubChem CID 103452043) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
PubChem CID103452043
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
SMILESCC(C)n1ccc(CC(O)C2(O)CCCCCC2)n1
InChIInChI=1S/C15H26N2O2/c1-12(2)17-10-7-13(16-17)11-14(18)15(19)8-5-3-4-6-9-15/h7,10,12,14,18-19H,3-6,8-9,11H2,1-2H3
InChIKeyLJIOIGJHAPUCPH-UHFFFAOYSA-N
XLogP2.45
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
1-(1-phenylcyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772434
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
CID 106798253
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066061
1-[1-hydroxy-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]-4-methylcyclohexan-1-ol
CID 103452462
1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
CID 107048234
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 65377213
1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243166
2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710449

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol (CID 103452043) is 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol is CC(C)n1ccc(CC(O)C2(O)CCCCCC2)n1.
What is the InChIKey of 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol?
The InChIKey is LJIOIGJHAPUCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12(2)17-10-7-13(16-17)11-14(18)15(19)8-5-3-4-6-9-15/h7,10,12,14,18-19H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol?
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).