1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C15H27N3O — CID 111104684

IUPAC1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1nc(C)c(CNCC2(O)CCCCC2)c1C
InChIInChI=1S/C15H27N3O/c1-4-18-13(3)14(12(2)17-18)10-16-11-15(19)8-6-5-7-9-15/h16,19H,4-11H2,1-3H3
InChIKeyASTZIYORBKHDPW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.30
Rot. Bonds5

About 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 111104684) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID111104684
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCn1nc(C)c(CNCC2(O)CCCCC2)c1C
InChIInChI=1S/C15H27N3O/c1-4-18-13(3)14(12(2)17-18)10-16-11-15(19)8-6-5-7-9-15/h16,19H,4-11H2,1-3H3
InChIKeyASTZIYORBKHDPW-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]cycloheptan-1-ol
CID 111425320
1-[[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]cycloheptan-1-ol
CID 65123003
(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 95895160
3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol;dihydrochloride
CID 154894218
4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 78928754
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 129322576
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
2-[4-[[(1-benzylcyclopentyl)methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110007090
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 115614299

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 111104684) is 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is CCn1nc(C)c(CNCC2(O)CCCCC2)c1C.
What is the InChIKey of 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is ASTZIYORBKHDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-18-13(3)14(12(2)17-18)10-16-11-15(19)8-6-5-7-9-15/h16,19H,4-11H2,1-3H3.
What are the key properties of 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 111104684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).