1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol

C12H19ClN2O2 — CID 103452342

IUPAC1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H19ClN2O2/c1-8-3-5-12(17,6-4-8)11(16)10-9(13)7-14-15(10)2/h7-8,11,16-17H,3-6H2,1-2H3
InChIKeyIXXFLZUWJQXXSM-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.05
Rot. Bonds2

About 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol

1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol (PubChem CID 103452342) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
PubChem CID103452342
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C12H19ClN2O2/c1-8-3-5-12(17,6-4-8)11(16)10-9(13)7-14-15(10)2/h7-8,11,16-17H,3-6H2,1-2H3
InChIKeyIXXFLZUWJQXXSM-UHFFFAOYSA-N
XLogP2.05
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(2-methylcyclopentyl)methanol
CID 107192965
(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
CID 114644064
1-(4-chloro-1-methylpyrazol-5-yl)-4-methylcycloheptan-1-ol
CID 114636259
1-[hydroxy-(4-methoxy-1-propylpyrazol-5-yl)methyl]-4-methylcyclohexan-1-ol
CID 103452557
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
(4-chloro-1-methylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115836740
1-[hydroxy-(4-methylphenyl)methyl]-4-methylcyclohexan-1-ol
CID 103452282
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
1-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]cyclohexan-1-ol
CID 103451587
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol
CID 114645048

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol (CID 103452342) is 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(C(O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
The InChIKey is IXXFLZUWJQXXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-8-3-5-12(17,6-4-8)11(16)10-9(13)7-14-15(10)2/h7-8,11,16-17H,3-6H2,1-2H3.
What are the key properties of 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol?
1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol has a molecular weight of 258.75 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-methylpyrazol-5-yl)-hydroxymethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).