1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol

C14H25N3O — CID 65197436

IUPAC1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1nn(C)cc1C(C)NCC1(O)CCCCC1
InChIInChI=1S/C14H25N3O/c1-11(13-9-17(3)16-12(13)2)15-10-14(18)7-5-4-6-8-14/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeySHESUZDMUKYITF-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.07
Rot. Bonds4

About 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol

1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 65197436) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID65197436
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCc1nn(C)cc1C(C)NCC1(O)CCCCC1
InChIInChI=1S/C14H25N3O/c1-11(13-9-17(3)16-12(13)2)15-10-14(18)7-5-4-6-8-14/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeySHESUZDMUKYITF-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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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol (CID 65197436) is 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol is Cc1nn(C)cc1C(C)NCC1(O)CCCCC1.
What is the InChIKey of 1-[[1-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is SHESUZDMUKYITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(13-9-17(3)16-12(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-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol?
1-[[1-(1,3-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-(1,3-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65197436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).