(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol

C12H20N2O — CID 106830809

IUPAC(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2(C)CCCCC2)cn1
InChIInChI=1S/C12H20N2O/c1-12(6-4-3-5-7-12)11(15)10-8-13-14(2)9-10/h8-9,11,15H,3-7H2,1-2H3
InChIKeyBBOXKKKKQNPNCF-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.42
Rot. Bonds2

About (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol

(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 106830809) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID106830809
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)C2(C)CCCCC2)cn1
InChIInChI=1S/C12H20N2O/c1-12(6-4-3-5-7-12)11(15)10-8-13-14(2)9-10/h8-9,11,15H,3-7H2,1-2H3
InChIKeyBBOXKKKKQNPNCF-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(1-methylpyrazol-4-yl)methanol
CID 79135001
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
1-(1-methylcyclopentyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103027896
1-adamantyl-(1-methylpyrazol-4-yl)methanol
CID 61088213
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
3-[hydroxy-(1-methylpyrazol-4-yl)methyl]oxane-3-carbonitrile
CID 103715747
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795
(1-ethylpyrazol-4-yl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79059497
(4-methoxy-1-methylpyrazol-5-yl)-(1-methylcyclopentyl)methanol
CID 115836869
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol (CID 106830809) is (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)C2(C)CCCCC2)cn1.
What is the InChIKey of (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is BBOXKKKKQNPNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(6-4-3-5-7-12)11(15)10-8-13-14(2)9-10/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol?
(1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 208.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 106830809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).