(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol

C11H17ClN2O — CID 114644064

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C11H17ClN2O/c1-7-3-4-8(5-7)11(15)10-9(12)6-13-14(10)2/h6-8,11,15H,3-5H2,1-2H3
InChIKeySSTKJEBUWTTZMY-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.54
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol

(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol (PubChem CID 114644064) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
PubChem CID114644064
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
SMILESCC1CCC(C(O)c2c(Cl)cnn2C)C1
InChIInChI=1S/C11H17ClN2O/c1-7-3-4-8(5-7)11(15)10-9(12)6-13-14(10)2/h6-8,11,15H,3-5H2,1-2H3
InChIKeySSTKJEBUWTTZMY-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)cyclohexyl]methanol
CID 105129742
(4-chloro-1-methylpyrazol-5-yl)-(2-methylcyclopentyl)methanol
CID 107192965
(4-chloro-1-methylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115836740
1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452342
(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol
CID 114645048
2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
CID 83831706
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-ethylcyclopentyl)methanol
CID 114644083
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
(4-chloro-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 114645209
[1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropyl-2-methoxyethyl]hydrazine
CID 105272836

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol (CID 114644064) is (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol is CC1CCC(C(O)c2c(Cl)cnn2C)C1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol?
The InChIKey is SSTKJEBUWTTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-7-3-4-8(5-7)11(15)10-9(12)6-13-14(10)2/h6-8,11,15H,3-5H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol?
(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol has a molecular weight of 228.72 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol is sourced from PubChem (CID 114644064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).