2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol

C17H30N2O — CID 106663847

IUPAC2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol
SMILESCCC(CC)n1ccc(CC2(O)CC(C)(C)CC2C)n1
InChIInChI=1S/C17H30N2O/c1-6-15(7-2)19-9-8-14(18-19)11-17(20)12-16(4,5)10-13(17)3/h8-9,13,15,20H,6-7,10-12H2,1-5H3
InChIKeySVPGLFDJFIQTRN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.97
Rot. Bonds5

About 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol

2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol (PubChem CID 106663847) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol
PubChem CID106663847
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol
SMILESCCC(CC)n1ccc(CC2(O)CC(C)(C)CC2C)n1
InChIInChI=1S/C17H30N2O/c1-6-15(7-2)19-9-8-14(18-19)11-17(20)12-16(4,5)10-13(17)3/h8-9,13,15,20H,6-7,10-12H2,1-5H3
InChIKeySVPGLFDJFIQTRN-UHFFFAOYSA-N
XLogP3.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol (CID 106663847) is 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol is CCC(CC)n1ccc(CC2(O)CC(C)(C)CC2C)n1.
What is the InChIKey of 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol?
The InChIKey is SVPGLFDJFIQTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-15(7-2)19-9-8-14(18-19)11-17(20)12-16(4,5)10-13(17)3/h8-9,13,15,20H,6-7,10-12H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol?
2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 106663847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).