N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide

C10H13N3O — CID 126821504

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C10H13N3O/c1-2-10(14)12-8-4-3-7-6-11-13-9(7)5-8/h2,6,8H,1,3-5H2,(H,11,13)(H,12,14)
InChIKeyBSISUUCIAOOGQX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.57
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide

N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide (PubChem CID 126821504) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
PubChem CID126821504
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
SMILESC=CC(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C10H13N3O/c1-2-10(14)12-8-4-3-7-6-11-13-9(7)5-8/h2,6,8H,1,3-5H2,(H,11,13)(H,12,14)
InChIKeyBSISUUCIAOOGQX-UHFFFAOYSA-N
XLogP0.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide 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 N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide (CID 126821504) is N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide is C=CC(=O)NC1CCc2cn[nH]c2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide?
The InChIKey is BSISUUCIAOOGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-10(14)12-8-4-3-7-6-11-13-9(7)5-8/h2,6,8H,1,3-5H2,(H,11,13)(H,12,14).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide?
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide is sourced from PubChem (CID 126821504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).