1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

C9H17N3 — CID 23005892

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(C)c1CC(C)N
InChIInChI=1S/C9H17N3/c1-6(10)5-9-7(2)11-12(4)8(9)3/h6H,5,10H2,1-4H3
InChIKeyCFETTYQSJILJEY-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.93
Rot. Bonds2

About 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 23005892) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID23005892
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(C)c1CC(C)N
InChIInChI=1S/C9H17N3/c1-6(10)5-9-7(2)11-12(4)8(9)3/h6H,5,10H2,1-4H3
InChIKeyCFETTYQSJILJEY-UHFFFAOYSA-N
XLogP0.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3,5-trimethylpyrazol-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

1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propane-1-thiol
CID 83930049
1-(1,3,5-trimethylpyrazol-4-yl)hex-4-yn-2-amine
CID 105112523
1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115
1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine
CID 62730951
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 120501674
1-(4-bromophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105089319
4-(2-aminopropyl)-1,3-dimethyl-N-propan-2-yl-N-propylpyrazol-5-amine
CID 63785131
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 107894694
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 23005892) is 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is Cc1nn(C)c(C)c1CC(C)N.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is CFETTYQSJILJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(10)5-9-7(2)11-12(4)8(9)3/h6H,5,10H2,1-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 23005892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).