3-chloro-N-(1H-indazol-5-yl)propanamide

C10H10ClN3O — CID 17164503

IUPAC3-chloro-N-(1H-indazol-5-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H10ClN3O/c11-4-3-10(15)13-8-1-2-9-7(5-8)6-12-14-9/h1-2,5-6H,3-4H2,(H,12,14)(H,13,15)
InChIKeyUMLLIOQPHANCGM-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.13
Rot. Bonds3

About 3-chloro-N-(1H-indazol-5-yl)propanamide

3-chloro-N-(1H-indazol-5-yl)propanamide (PubChem CID 17164503) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-chloro-N-(1H-indazol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1H-indazol-5-yl)propanamide
PubChem CID17164503
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name3-chloro-N-(1H-indazol-5-yl)propanamide
SMILESO=C(CCCl)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C10H10ClN3O/c11-4-3-10(15)13-8-1-2-9-7(5-8)6-12-14-9/h1-2,5-6H,3-4H2,(H,12,14)(H,13,15)
InChIKeyUMLLIOQPHANCGM-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
CID 23570801
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-[4-(1H-indazol-5-yl)phenyl]-3-sulfanylpropanamide
CID 172640352
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
CID 25178128
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
2-(2-chlorophenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165269
4-[benzyl(methyl)amino]-N-(1H-indazol-5-yl)butanamide
CID 18447148

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-indazol-5-yl)propanamide?
The IUPAC name of 3-chloro-N-(1H-indazol-5-yl)propanamide (CID 17164503) is 3-chloro-N-(1H-indazol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1H-indazol-5-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1H-indazol-5-yl)propanamide is O=C(CCCl)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 3-chloro-N-(1H-indazol-5-yl)propanamide?
The InChIKey is UMLLIOQPHANCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c11-4-3-10(15)13-8-1-2-9-7(5-8)6-12-14-9/h1-2,5-6H,3-4H2,(H,12,14)(H,13,15).
What are the key properties of 3-chloro-N-(1H-indazol-5-yl)propanamide?
3-chloro-N-(1H-indazol-5-yl)propanamide has a molecular weight of 223.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-indazol-5-yl)propanamide is sourced from PubChem (CID 17164503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).