1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol

C14H25N3O — CID 110010378

IUPAC1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1c(C(C)NCC2(O)CCCCC2)cnn1C
InChIInChI=1S/C14H25N3O/c1-11(13-9-16-17(3)12(13)2)15-10-14(18)7-5-4-6-8-14/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeyXUZKQBDGRHGQRX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.07
Rot. Bonds4

About 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol

1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 110010378) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID110010378
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1c(C(C)NCC2(O)CCCCC2)cnn1C
InChIInChI=1S/C14H25N3O/c1-11(13-9-16-17(3)12(13)2)15-10-14(18)7-5-4-6-8-14/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeyXUZKQBDGRHGQRX-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65197436
1-[[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethylamino]methyl]cyclohexan-1-ol
CID 111459377
1-[[1-(2,4,5-trimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122891
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
CID 115970555
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
CID 110010526
1-[[1-(2,4-dimethylphenyl)ethylamino]methyl]cycloheptan-1-ol
CID 65122847
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220
2-[1-[(1-hydroxycyclohexyl)methylamino]ethyl]-5-methylphenol
CID 65107647
1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cycloheptan-1-ol
CID 62117715
1-[[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 111121649
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol (CID 110010378) is 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol is Cc1c(C(C)NCC2(O)CCCCC2)cnn1C.
What is the InChIKey of 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is XUZKQBDGRHGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(13-9-16-17(3)12(13)2)15-10-14(18)7-5-4-6-8-14/h9,11,15,18H,4-8,10H2,1-3H3.
What are the key properties of 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110010378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).