1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol

C12H19ClN2O — CID 83675737

IUPAC1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol
SMILESCC(O)Cc1c(C2CCCC2)nn(C)c1Cl
InChIInChI=1S/C12H19ClN2O/c1-8(16)7-10-11(9-5-3-4-6-9)14-15(2)12(10)13/h8-9,16H,3-7H2,1-2H3
InChIKeyYYBRLINYXYZRTL-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.65
Rot. Bonds3

About 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol

1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 83675737) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol
PubChem CID83675737
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol
SMILESCC(O)Cc1c(C2CCCC2)nn(C)c1Cl
InChIInChI=1S/C12H19ClN2O/c1-8(16)7-10-11(9-5-3-4-6-9)14-15(2)12(10)13/h8-9,16H,3-7H2,1-2H3
InChIKeyYYBRLINYXYZRTL-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol (CID 83675737) is 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol is CC(O)Cc1c(C2CCCC2)nn(C)c1Cl.
What is the InChIKey of 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is YYBRLINYXYZRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8(16)7-10-11(9-5-3-4-6-9)14-15(2)12(10)13/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol?
1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-cyclopentyl-1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 83675737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).