1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine

C9H16N4 — CID 139022575

IUPAC1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCc1cc(N2CCC(N)C2)n(C)n1
InChIInChI=1S/C9H16N4/c1-7-5-9(12(2)11-7)13-4-3-8(10)6-13/h5,8H,3-4,6,10H2,1-2H3
InChIKeyVRZVTHUVFQQZPT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.27
Rot. Bonds1

About 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine

1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine (PubChem CID 139022575) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine
PubChem CID139022575
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine
SMILESCc1cc(N2CCC(N)C2)n(C)n1
InChIInChI=1S/C9H16N4/c1-7-5-9(12(2)11-7)13-4-3-8(10)6-13/h5,8H,3-4,6,10H2,1-2H3
InChIKeyVRZVTHUVFQQZPT-UHFFFAOYSA-N
XLogP0.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine (CID 139022575) is 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine is Cc1cc(N2CCC(N)C2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine?
The InChIKey is VRZVTHUVFQQZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7-5-9(12(2)11-7)13-4-3-8(10)6-13/h5,8H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine?
1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 139022575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).