4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine

C9H18N4 — CID 117216764

IUPAC4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine
SMILESCCNCc1cnn(C(C)C)c1N
InChIInChI=1S/C9H18N4/c1-4-11-5-8-6-12-13(7(2)3)9(8)10/h6-7,11H,4-5,10H2,1-3H3
InChIKeyWZUBCWFVDOAIEU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.16
Rot. Bonds4

About 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine

4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine (PubChem CID 117216764) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine
PubChem CID117216764
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine
SMILESCCNCc1cnn(C(C)C)c1N
InChIInChI=1S/C9H18N4/c1-4-11-5-8-6-12-13(7(2)3)9(8)10/h6-7,11H,4-5,10H2,1-3H3
InChIKeyWZUBCWFVDOAIEU-UHFFFAOYSA-N
XLogP1.16
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-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 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine (CID 117216764) is 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine is CCNCc1cnn(C(C)C)c1N.
What is the InChIKey of 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine?
The InChIKey is WZUBCWFVDOAIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-11-5-8-6-12-13(7(2)3)9(8)10/h6-7,11H,4-5,10H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine?
4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine has a molecular weight of 182.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 117216764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).