N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine

C13H23N3O — CID 43768907

IUPACN-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCOC1CCCCC1Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-9-13(10(2)16(3)15-9)14-11-7-5-6-8-12(11)17-4/h11-12,14H,5-8H2,1-4H3
InChIKeyXXKQEPAPUJIBGK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.41
Rot. Bonds3

About N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine

N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine (PubChem CID 43768907) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine
PubChem CID43768907
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine
SMILESCOC1CCCCC1Nc1c(C)nn(C)c1C
InChIInChI=1S/C13H23N3O/c1-9-13(10(2)16(3)15-9)14-11-7-5-6-8-12(11)17-4/h11-12,14H,5-8H2,1-4H3
InChIKeyXXKQEPAPUJIBGK-UHFFFAOYSA-N
XLogP2.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine (CID 43768907) is N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine is COC1CCCCC1Nc1c(C)nn(C)c1C.
What is the InChIKey of N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is XXKQEPAPUJIBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-13(10(2)16(3)15-9)14-11-7-5-6-8-12(11)17-4/h11-12,14H,5-8H2,1-4H3.
What are the key properties of N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine?
N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 43768907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).