1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine

C12H21N3O — CID 63315810

IUPAC1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
SMILESCC1CCCCC1OCCn1ccc(N)n1
InChIInChI=1S/C12H21N3O/c1-10-4-2-3-5-11(10)16-9-8-15-7-6-12(13)14-15/h6-7,10-11H,2-5,8-9H2,1H3,(H2,13,14)
InChIKeyIYPUBMYVFHOJCM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.06
Rot. Bonds4

About 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine

1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine (PubChem CID 63315810) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
PubChem CID63315810
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine
SMILESCC1CCCCC1OCCn1ccc(N)n1
InChIInChI=1S/C12H21N3O/c1-10-4-2-3-5-11(10)16-9-8-15-7-6-12(13)14-15/h6-7,10-11H,2-5,8-9H2,1H3,(H2,13,14)
InChIKeyIYPUBMYVFHOJCM-UHFFFAOYSA-N
XLogP2.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63316335
1-[2-(cycloheptylmethoxy)ethyl]pyrazol-3-amine
CID 114248067
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 63316247
1-[2-(2-cyclopropylethoxy)ethyl]pyrazol-3-amine
CID 106200002
1-[2-(2-methylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318333
1-[2-(3-aminopyrazol-1-yl)ethyl]-4-methylpiperidin-3-ol
CID 102955985
1-[2-(oxan-4-ylmethoxy)ethyl]pyrazol-3-amine
CID 63316340
1-[2-(cyclopentylmethylsulfanyl)ethyl]pyrazol-3-amine
CID 63316214
1-[3-(3-methoxypiperidin-1-yl)propyl]pyrazol-3-amine
CID 102956385
1-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 94827999
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-4-propylpiperazine
CID 95284863
1-[2-(2-ethylpyrrolidin-1-yl)ethyl]pyrazol-3-amine
CID 63318334

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine (CID 63315810) is 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine is CC1CCCCC1OCCn1ccc(N)n1.
What is the InChIKey of 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine?
The InChIKey is IYPUBMYVFHOJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-4-2-3-5-11(10)16-9-8-15-7-6-12(13)14-15/h6-7,10-11H,2-5,8-9H2,1H3,(H2,13,14).
What are the key properties of 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine?
1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylcyclohexyl)oxyethyl]pyrazol-3-amine is sourced from PubChem (CID 63315810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).