[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol

C14H25N3O — CID 79074868

IUPAC[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
SMILESCC1CCC(C(O)c2ccnn2C)(N(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-11-5-8-14(9-6-11,16(2)3)13(18)12-7-10-15-17(12)4/h7,10-11,13,18H,5-6,8-9H2,1-4H3
InChIKeyJDGGWAGTOTZLHP-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.96
Rot. Bonds3

About [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol

[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 79074868) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
PubChem CID79074868
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
SMILESCC1CCC(C(O)c2ccnn2C)(N(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-11-5-8-14(9-6-11,16(2)3)13(18)12-7-10-15-17(12)4/h7,10-11,13,18H,5-6,8-9H2,1-4H3
InChIKeyJDGGWAGTOTZLHP-UHFFFAOYSA-N
XLogP1.96
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(2-methylpyrazol-3-yl)methanol
CID 79068264
[1-(dimethylamino)-4-methylcyclohexyl]-(2-propylpyrazol-3-yl)methanol
CID 79075090
[1-(dimethylamino)-4-methylcyclohexyl]-(furan-3-yl)methanol
CID 79074647
[1-(dimethylamino)-4-methylcyclohexyl]-pyridin-3-ylmethanol
CID 79074201
1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 103451942
4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106757864
(1-ethoxy-3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755312
(1-methoxy-4,4-dimethylcyclohexyl)-(2-methylpyrazol-3-yl)methanol
CID 116755712
(2-methylpyrazol-3-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 65425663
(R)-(2-methylpyrazol-3-yl)-(4-propan-2-ylcyclohexyl)methanol
CID 124512855
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 114554625

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol (CID 79074868) is [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol is CC1CCC(C(O)c2ccnn2C)(N(C)C)CC1.
What is the InChIKey of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is JDGGWAGTOTZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-5-8-14(9-6-11,16(2)3)13(18)12-7-10-15-17(12)4/h7,10-11,13,18H,5-6,8-9H2,1-4H3.
What are the key properties of [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol?
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 251.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 79074868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).