1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol

C15H27N3O2 — CID 56823434

IUPAC1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCc1nn(CCO)c(C)c1CNCC1(O)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-12-14(13(2)18(17-12)8-9-19)10-16-11-15(20)6-4-3-5-7-15/h16,19-20H,3-11H2,1-2H3
InChIKeyIGGHKESYMZSUMW-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.28
Rot. Bonds6

About 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol

1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 56823434) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID56823434
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
SMILESCc1nn(CCO)c(C)c1CNCC1(O)CCCCC1
InChIInChI=1S/C15H27N3O2/c1-12-14(13(2)18(17-12)8-9-19)10-16-11-15(20)6-4-3-5-7-15/h16,19-20H,3-11H2,1-2H3
InChIKeyIGGHKESYMZSUMW-UHFFFAOYSA-N
XLogP1.28
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol (CID 56823434) is 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol is Cc1nn(CCO)c(C)c1CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IGGHKESYMZSUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12-14(13(2)18(17-12)8-9-19)10-16-11-15(20)6-4-3-5-7-15/h16,19-20H,3-11H2,1-2H3.
What are the key properties of 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 56823434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).