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

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

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Related Compounds

4-[[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]oxan-4-ol
CID 72022736
(1S*,2R*)-2-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}cyclohexanol
CID 86286438
1-[1-(1,3,5-Trimethylpyrazol-4-yl)propylamino]butan-2-ol
CID 91660440
2-[3,5-Dimethyl-4-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol
CID 110905631
2-[3,5-Dimethyl-4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]pyrazol-1-yl]ethanol
CID 110905634
2-[4-[(3-Fluoropropylamino)methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 112333976
(2S,3S)-1,1,1-trifluoro-4-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 126814062
(3S,5S)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 69931537
5-[(1,3,5-Trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 77745832
(2R)-1-(3,4,5-trimethylpyrazol-1-yl)butan-2-ol
CID 89719282
Pyrrolidin-3-ol;1,3,4,5-tetramethylpyrazole
CID 144336015
2-(3-Ethyl-4,5-dimethylpyrazol-1-yl)ethanol
CID 144506265

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).