5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine

C13H23N3O — CID 64744317

IUPAC5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(OC2CCC(C)C(C)C2)c1N
InChIInChI=1S/C13H23N3O/c1-8-5-6-11(7-9(8)2)17-13-12(14)10(3)15-16(13)4/h8-9,11H,5-7,14H2,1-4H3
InChIKeyVVWFAERECJZXRJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.51
Rot. Bonds2

About 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine

5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine (PubChem CID 64744317) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine
PubChem CID64744317
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(OC2CCC(C)C(C)C2)c1N
InChIInChI=1S/C13H23N3O/c1-8-5-6-11(7-9(8)2)17-13-12(14)10(3)15-16(13)4/h8-9,11H,5-7,14H2,1-4H3
InChIKeyVVWFAERECJZXRJ-UHFFFAOYSA-N
XLogP2.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine
CID 43554434
5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine
CID 62116290
5-cyclopentyloxy-1,3-dimethylpyrazol-4-amine
CID 43554361
5-(cyclopropylmethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554459
3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine
CID 66025943
5-(3-aminocyclopentyl)oxy-1,3-dimethylpyrazole-4-carboxamide
CID 79466135
5-cyclopentyloxy-3-methyl-1-propylpyrazol-4-amine
CID 66029227
5-(3,5-dimethylcyclohexyl)oxy-3-ethyl-1-methylpyrazol-4-amine
CID 66016271
6-(3,4-dimethylcyclohexyl)oxypyridin-2-amine
CID 80653440
1-methyl-3-propan-2-yl-5-(3,3,5-trimethylcyclohexyl)oxypyrazol-4-amine
CID 66011775
5-(4-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide
CID 63757883
5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66025043

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine (CID 64744317) is 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(OC2CCC(C)C(C)C2)c1N.
What is the InChIKey of 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine?
The InChIKey is VVWFAERECJZXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8-5-6-11(7-9(8)2)17-13-12(14)10(3)15-16(13)4/h8-9,11H,5-7,14H2,1-4H3.
What are the key properties of 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine?
5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 64744317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).