2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol

C16H29N3O — CID 64831011

IUPAC2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCC(C)(C)C1CCCCC1NCc1cnn(CCO)c1
InChIInChI=1S/C16H29N3O/c1-16(2,3)14-6-4-5-7-15(14)17-10-13-11-18-19(12-13)8-9-20/h11-12,14-15,17,20H,4-10H2,1-3H3
InChIKeyANOAPYIDVJAASH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol

2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 64831011) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
PubChem CID64831011
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol
SMILESCC(C)(C)C1CCCCC1NCc1cnn(CCO)c1
InChIInChI=1S/C16H29N3O/c1-16(2,3)14-6-4-5-7-15(14)17-10-13-11-18-19(12-13)8-9-20/h11-12,14-15,17,20H,4-10H2,1-3H3
InChIKeyANOAPYIDVJAASH-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874
[2-[(1-ethylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 115655039
2-[4-[[(2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 166298244
2-[4-[(2-adamantylamino)methyl]pyrazol-1-yl]ethanol
CID 64829200
5-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-1-methylpiperidin-2-one
CID 64829046
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
2-(chloromethyl)-N-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365342
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
2-[4-[(3-cyclohexyloxypropylamino)methyl]pyrazol-1-yl]ethanol
CID 64830147
2-[4-[[(1-methylcyclopentyl)amino]methyl]pyrazol-1-yl]ethanol
CID 64830027
2-[4-[(1-cyclopropylpropan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 64831182
2-[(2-tert-butylcyclohexyl)amino]ethanol
CID 43085233

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol (CID 64831011) is 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol is CC(C)(C)C1CCCCC1NCc1cnn(CCO)c1.
What is the InChIKey of 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is ANOAPYIDVJAASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-16(2,3)14-6-4-5-7-15(14)17-10-13-11-18-19(12-13)8-9-20/h11-12,14-15,17,20H,4-10H2,1-3H3.
What are the key properties of 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol?
2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 279.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-tert-butylcyclohexyl)amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 64831011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).