trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol

C12H21N3O — CID 103005731

IUPACtrans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
SMILESCn1nccc1CCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H21N3O/c1-15-10(7-9-14-15)6-8-13-11-4-2-3-5-12(11)16/h7,9,11-13,16H,2-6,8H2,1H3/t11-,12-/m1/s1
InChIKeyQHHPPRHBNBZLJX-VXGBXAGGSA-N
MW223.32 g/mol
LogP0.86
Rot. Bonds4

About trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol (PubChem CID 103005731) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
PubChem CID103005731
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nametrans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
SMILESCn1nccc1CCN[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H21N3O/c1-15-10(7-9-14-15)6-8-13-11-4-2-3-5-12(11)16/h7,9,11-13,16H,2-6,8H2,1H3/t11-,12-/m1/s1
InChIKeyQHHPPRHBNBZLJX-VXGBXAGGSA-N
XLogP0.86
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
CID 104695087
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol (CID 103005731) is trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol is Cn1nccc1CCN[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol?
The InChIKey is QHHPPRHBNBZLJX-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-10(7-9-14-15)6-8-13-11-4-2-3-5-12(11)16/h7,9,11-13,16H,2-6,8H2,1H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 103005731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).