5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide

C14H20N4O2 — CID 62523247

IUPAC5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H20N4O2/c1-3-14(4-2,8-19)16-13(20)12-10-7-9(15)5-6-11(10)17-18-12/h5-7,19H,3-4,8,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyQTBIPFVFSBWQCA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.43
Rot. Bonds5

About 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide

5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide (PubChem CID 62523247) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
PubChem CID62523247
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide
SMILESCCC(CC)(CO)NC(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H20N4O2/c1-3-14(4-2,8-19)16-13(20)12-10-7-9(15)5-6-11(10)17-18-12/h5-7,19H,3-4,8,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyQTBIPFVFSBWQCA-UHFFFAOYSA-N
XLogP1.43
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-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-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide (CID 62523247) is 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide is CCC(CC)(CO)NC(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is QTBIPFVFSBWQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-14(4-2,8-19)16-13(20)12-10-7-9(15)5-6-11(10)17-18-12/h5-7,19H,3-4,8,15H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide?
5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 62523247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).