(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol

C14H24N2O2 — CID 116755712

IUPAC(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOC1(C(O)c2ccnn2C)CCC(C)(C)CC1
InChIInChI=1S/C14H24N2O2/c1-13(2)6-8-14(18-4,9-7-13)12(17)11-5-10-15-16(11)3/h5,10,12,17H,6-9H2,1-4H3
InChIKeyRBKVVEMKWCOOBQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.44
Rot. Bonds3

About (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol

(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 116755712) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID116755712
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOC1(C(O)c2ccnn2C)CCC(C)(C)CC1
InChIInChI=1S/C14H24N2O2/c1-13(2)6-8-14(18-4,9-7-13)12(17)11-5-10-15-16(11)3/h5,10,12,17H,6-9H2,1-4H3
InChIKeyRBKVVEMKWCOOBQ-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755731
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanol
CID 116755628
1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 103451942
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
[1-(dimethylamino)cyclopentyl]-(2-methylpyrazol-3-yl)methanol
CID 79068264
[(1-methoxycyclobutyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105270208
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 79074868
[1-(aminomethyl)cyclobutyl]-(2-methylpyrazol-3-yl)methanol
CID 102547567
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748
(4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanamine
CID 65392017
(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol (CID 116755712) is (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol is COC1(C(O)c2ccnn2C)CCC(C)(C)CC1.
What is the InChIKey of (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is RBKVVEMKWCOOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2)6-8-14(18-4,9-7-13)12(17)11-5-10-15-16(11)3/h5,10,12,17H,6-9H2,1-4H3.
What are the key properties of (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol?
(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 252.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 116755712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).