4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol

C11H18N2O — CID 170221778

IUPAC4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1cn(C2CCC(O)CC2)nc1C
InChIInChI=1S/C11H18N2O/c1-8-7-13(12-9(8)2)10-3-5-11(14)6-4-10/h7,10-11,14H,3-6H2,1-2H3
InChIKeyYDAQGSNZGWMFLF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.98
Rot. Bonds1

About 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol

4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 170221778) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID170221778
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1cn(C2CCC(O)CC2)nc1C
InChIInChI=1S/C11H18N2O/c1-8-7-13(12-9(8)2)10-3-5-11(14)6-4-10/h7,10-11,14H,3-6H2,1-2H3
InChIKeyYDAQGSNZGWMFLF-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypropyl)-1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidine
CID 70787817
1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]cyclohexanol
CID 59556146
4-[3-(Difluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 169120459
[1-Cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methanol
CID 66437685
2-[Cyclohexyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]ethanol
CID 109619920
[6-Methyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 109832562
2-[Methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]cyclohexan-1-ol
CID 109849282
1-[1-[(1,3-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 109935819
1-[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 112229230
4-[Methyl-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]amino]butan-1-ol
CID 112389680

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol (CID 170221778) is 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol is Cc1cn(C2CCC(O)CC2)nc1C.
What is the InChIKey of 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is YDAQGSNZGWMFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-7-13(12-9(8)2)10-3-5-11(14)6-4-10/h7,10-11,14H,3-6H2,1-2H3.
What are the key properties of 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol?
4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 170221778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).