4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol

C14H25N3O — CID 106757864

IUPAC4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)c2ccnn2C)CC1
InChIInChI=1S/C14H25N3O/c1-11-4-7-14(18,8-5-11)10-15-12(2)13-6-9-16-17(13)3/h6,9,11-12,15,18H,4-5,7-8,10H2,1-3H3
InChIKeyRTYNJMJTLBWSKR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol

4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 106757864) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID106757864
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)c2ccnn2C)CC1
InChIInChI=1S/C14H25N3O/c1-11-4-7-14(18,8-5-11)10-15-12(2)13-6-9-16-17(13)3/h6,9,11-12,15,18H,4-5,7-8,10H2,1-3H3
InChIKeyRTYNJMJTLBWSKR-UHFFFAOYSA-N
XLogP2.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol
CID 106757942
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788
3-(4-methylpiperidin-1-yl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106756979
5-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]benzene-1,3-diol
CID 107706669
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054
N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757829
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
[1-(dimethylamino)-4-methylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 79074868
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol (CID 106757864) is 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNC(C)c2ccnn2C)CC1.
What is the InChIKey of 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is RTYNJMJTLBWSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-4-7-14(18,8-5-11)10-15-12(2)13-6-9-16-17(13)3/h6,9,11-12,15,18H,4-5,7-8,10H2,1-3H3.
What are the key properties of 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol?
4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106757864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).