1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine

C12H21N3O — CID 43554434

IUPAC1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine
SMILESCc1nn(C)c(OC2CCC(C)CC2)c1N
InChIInChI=1S/C12H21N3O/c1-8-4-6-10(7-5-8)16-12-11(13)9(2)14-15(12)3/h8,10H,4-7,13H2,1-3H3
InChIKeyPTMYMZKLZAUTOU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.27
Rot. Bonds2

About 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine

1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine (PubChem CID 43554434) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine
PubChem CID43554434
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine
SMILESCc1nn(C)c(OC2CCC(C)CC2)c1N
InChIInChI=1S/C12H21N3O/c1-8-4-6-10(7-5-8)16-12-11(13)9(2)14-15(12)3/h8,10H,4-7,13H2,1-3H3
InChIKeyPTMYMZKLZAUTOU-UHFFFAOYSA-N
XLogP2.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyloxy-1,3-dimethylpyrazol-4-amine
CID 62116290
5-cyclopentyloxy-1,3-dimethylpyrazol-4-amine
CID 43554361
5-(3,4-dimethylcyclohexyl)oxy-1,3-dimethylpyrazol-4-amine
CID 64744317
3-methyl-5-(4-methylcyclohexyl)oxy-1-propan-2-ylpyrazol-4-amine
CID 66025943
5-cyclopentyloxy-3-methyl-1-propylpyrazol-4-amine
CID 66029227
5-(cyclopropylmethoxy)-1,3-dimethylpyrazol-4-amine
CID 43554459
5-(4,4-dimethylcyclohexyl)oxy-3-methyl-1-propylpyrazol-4-amine
CID 114340426
5-cyclohexyloxy-1-methyl-3-propylpyrazol-4-amine
CID 66018723
5-(4-aminocyclohexyl)oxy-1,3-dimethylpyrazole-4-carboxamide
CID 63757883
5-cyclohexyloxy-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66025043
5-(3,5-dimethylcyclohexyl)oxy-3-ethyl-1-methylpyrazol-4-amine
CID 66016271
5-hexoxy-1,3-dimethylpyrazol-4-amine
CID 43554474

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine (CID 43554434) is 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine is Cc1nn(C)c(OC2CCC(C)CC2)c1N.
What is the InChIKey of 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine?
The InChIKey is PTMYMZKLZAUTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-4-6-10(7-5-8)16-12-11(13)9(2)14-15(12)3/h8,10H,4-7,13H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine?
1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylcyclohexyl)oxypyrazol-4-amine is sourced from PubChem (CID 43554434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).