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

C14H24N2O — CID 64772657

IUPAC2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCC(C)n1ccc(CC2CCCCCC2O)n1
InChIInChI=1S/C14H24N2O/c1-11(2)16-9-8-13(15-16)10-12-6-4-3-5-7-14(12)17/h8-9,11-12,14,17H,3-7,10H2,1-2H3
InChIKeyLPLHYOATHIAABL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.95
Rot. Bonds3

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

2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol (PubChem CID 64772657) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
PubChem CID64772657
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
SMILESCC(C)n1ccc(CC2CCCCCC2O)n1
InChIInChI=1S/C14H24N2O/c1-11(2)16-9-8-13(15-16)10-12-6-4-3-5-7-14(12)17/h8-9,11-12,14,17H,3-7,10H2,1-2H3
InChIKeyLPLHYOATHIAABL-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The IUPAC name of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol (CID 64772657) is 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The canonical SMILES for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol is CC(C)n1ccc(CC2CCCCCC2O)n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
The InChIKey is LPLHYOATHIAABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)16-9-8-13(15-16)10-12-6-4-3-5-7-14(12)17/h8-9,11-12,14,17H,3-7,10H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol?
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol is sourced from PubChem (CID 64772657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).