1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol

C11H17ClN2O — CID 65212683

IUPAC1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol
SMILESCc1nn(CC2(O)CCCC2)c(C)c1Cl
InChIInChI=1S/C11H17ClN2O/c1-8-10(12)9(2)14(13-8)7-11(15)5-3-4-6-11/h15H,3-7H2,1-2H3
InChIKeyGHULKHWDQVGJCI-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.46
Rot. Bonds2

About 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol

1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 65212683) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol
PubChem CID65212683
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol
SMILESCc1nn(CC2(O)CCCC2)c(C)c1Cl
InChIInChI=1S/C11H17ClN2O/c1-8-10(12)9(2)14(13-8)7-11(15)5-3-4-6-11/h15H,3-7H2,1-2H3
InChIKeyGHULKHWDQVGJCI-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol (CID 65212683) is 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol is Cc1nn(CC2(O)CCCC2)c(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is GHULKHWDQVGJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8-10(12)9(2)14(13-8)7-11(15)5-3-4-6-11/h15H,3-7H2,1-2H3.
What are the key properties of 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol?
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65212683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).