1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine

C13H25N3O — CID 62730951

IUPAC1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(CCOC(C)C)c(C)c1CC(C)N
InChIInChI=1S/C13H25N3O/c1-9(2)17-7-6-16-12(5)13(8-10(3)14)11(4)15-16/h9-10H,6-8,14H2,1-5H3
InChIKeyDMQJLAQFRABWBA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.81
Rot. Bonds6

About 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine

1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine (PubChem CID 62730951) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine
PubChem CID62730951
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(CCOC(C)C)c(C)c1CC(C)N
InChIInChI=1S/C13H25N3O/c1-9(2)17-7-6-16-12(5)13(8-10(3)14)11(4)15-16/h9-10H,6-8,14H2,1-5H3
InChIKeyDMQJLAQFRABWBA-UHFFFAOYSA-N
XLogP1.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55110647
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416
1-[1-[(2-chloro-4-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-2-amine
CID 106869740
1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754414
1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 65178268
3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79224869
1-[3,5-dimethyl-1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720927
1-[3,5-dimethyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]butan-2-amine
CID 113474357
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
CID 61071648
1-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethanamine
CID 106457366
4-(chloromethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
CID 82699042

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine (CID 62730951) is 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine is Cc1nn(CCOC(C)C)c(C)c1CC(C)N.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is DMQJLAQFRABWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)17-7-6-16-12(5)13(8-10(3)14)11(4)15-16/h9-10H,6-8,14H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine?
1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 62730951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).