1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol

C14H24N2O — CID 64775504

IUPAC1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
SMILESCCC1CCC(n2cc(C(O)CC)cn2)CC1
InChIInChI=1S/C14H24N2O/c1-3-11-5-7-13(8-6-11)16-10-12(9-15-16)14(17)4-2/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyYMZFSISUXGAYSC-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.47
Rot. Bonds4

About 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol

1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol (PubChem CID 64775504) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
PubChem CID64775504
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol
SMILESCCC1CCC(n2cc(C(O)CC)cn2)CC1
InChIInChI=1S/C14H24N2O/c1-3-11-5-7-13(8-6-11)16-10-12(9-15-16)14(17)4-2/h9-11,13-14,17H,3-8H2,1-2H3
InChIKeyYMZFSISUXGAYSC-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol (CID 64775504) is 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol is CCC1CCC(n2cc(C(O)CC)cn2)CC1.
What is the InChIKey of 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is YMZFSISUXGAYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-11-5-7-13(8-6-11)16-10-12(9-15-16)14(17)4-2/h9-11,13-14,17H,3-8H2,1-2H3.
What are the key properties of 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol?
1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 64775504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).