N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide

C15H20ClN3O — CID 106168249

IUPACN-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20ClN3O/c1-4-15(2,9-10-16)17-14(20)13-11-7-5-6-8-12(11)19(3)18-13/h5-8H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyJKPUFLPEXKNOGW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.10
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide

N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide (PubChem CID 106168249) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide
PubChem CID106168249
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20ClN3O/c1-4-15(2,9-10-16)17-14(20)13-11-7-5-6-8-12(11)19(3)18-13/h5-8H,4,9-10H2,1-3H3,(H,17,20)
InChIKeyJKPUFLPEXKNOGW-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide (CID 106168249) is N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide is CCC(C)(CCCl)NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide?
The InChIKey is JKPUFLPEXKNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-15(2,9-10-16)17-14(20)13-11-7-5-6-8-12(11)19(3)18-13/h5-8H,4,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide has a molecular weight of 293.80 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 106168249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).