3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol

C12H19ClN2O — CID 114665091

IUPAC3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H19ClN2O/c1-7(2)15-12(10(13)6-14-15)9-4-5-11(16)8(9)3/h6-9,11,16H,4-5H2,1-3H3
InChIKeyZBCNZTZTWCADKV-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.99
Rot. Bonds2

About 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol

3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol (PubChem CID 114665091) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol
PubChem CID114665091
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H19ClN2O/c1-7(2)15-12(10(13)6-14-15)9-4-5-11(16)8(9)3/h6-9,11,16H,4-5H2,1-3H3
InChIKeyZBCNZTZTWCADKV-UHFFFAOYSA-N
XLogP2.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
CID 114663690
1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
CID 114667328
5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
CID 114665383
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine
CID 83840007
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexen-1-yl)methanone
CID 103451058
2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114665077
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methylcyclopentyl)methanone
CID 114640773
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanone
CID 83876724
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-propan-2-ylcyclobutan-1-ol
CID 103564145
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(oxolan-2-yl)methanol
CID 114637933
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3,5-dimethylcyclohexan-1-ol
CID 114636022

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
The IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol (CID 114665091) is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol is CC1C(O)CCC1c1c(Cl)cnn1C(C)C.
What is the InChIKey of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
The InChIKey is ZBCNZTZTWCADKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-7(2)15-12(10(13)6-14-15)9-4-5-11(16)8(9)3/h6-9,11,16H,4-5H2,1-3H3.
What are the key properties of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol?
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol has a molecular weight of 242.75 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 114665091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).