5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide

C9H17N5O — CID 167078584

IUPAC5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide
SMILESCCC(N)NC(=O)c1cnn(CC)c1N
InChIInChI=1S/C9H17N5O/c1-3-7(10)13-9(15)6-5-12-14(4-2)8(6)11/h5,7H,3-4,10-11H2,1-2H3,(H,13,15)
InChIKeyCOSRHZHGVLUVGD-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.09
Rot. Bonds4

About 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide

5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 167078584) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide
PubChem CID167078584
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide
SMILESCCC(N)NC(=O)c1cnn(CC)c1N
InChIInChI=1S/C9H17N5O/c1-3-7(10)13-9(15)6-5-12-14(4-2)8(6)11/h5,7H,3-4,10-11H2,1-2H3,(H,13,15)
InChIKeyCOSRHZHGVLUVGD-UHFFFAOYSA-N
XLogP-0.09
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide 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 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide (CID 167078584) is 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide is CCC(N)NC(=O)c1cnn(CC)c1N.
What is the InChIKey of 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is COSRHZHGVLUVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-7(10)13-9(15)6-5-12-14(4-2)8(6)11/h5,7H,3-4,10-11H2,1-2H3,(H,13,15).
What are the key properties of 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 211.27 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 167078584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).