1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol

C16H28N2O — CID 103027766

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCC(C)CC1(C(O)CCc2cnn(C)c2)CCCC1
InChIInChI=1S/C16H28N2O/c1-13(2)10-16(8-4-5-9-16)15(19)7-6-14-11-17-18(3)12-14/h11-13,15,19H,4-10H2,1-3H3
InChIKeySYEOHIOZXNOXQV-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.32
Rot. Bonds6

About 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol

1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103027766) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103027766
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCC(C)CC1(C(O)CCc2cnn(C)c2)CCCC1
InChIInChI=1S/C16H28N2O/c1-13(2)10-16(8-4-5-9-16)15(19)7-6-14-11-17-18(3)12-14/h11-13,15,19H,4-10H2,1-3H3
InChIKeySYEOHIOZXNOXQV-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103027766) is 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol is CC(C)CC1(C(O)CCc2cnn(C)c2)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is SYEOHIOZXNOXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)10-16(8-4-5-9-16)15(19)7-6-14-11-17-18(3)12-14/h11-13,15,19H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103027766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).