N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide

C18H18ClN3O — CID 78865955

IUPACN-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(C)C(C)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H18ClN3O/c1-11-4-9-16-15(10-11)17(21-20-16)18(23)22(3)12(2)13-5-7-14(19)8-6-13/h4-10,12H,1-3H3,(H,20,21)
InChIKeyWVEQBENQMAULPQ-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.36
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide (PubChem CID 78865955) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide
PubChem CID78865955
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)N(C)C(C)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H18ClN3O/c1-11-4-9-16-15(10-11)17(21-20-16)18(23)22(3)12(2)13-5-7-14(19)8-6-13/h4-10,12H,1-3H3,(H,20,21)
InChIKeyWVEQBENQMAULPQ-UHFFFAOYSA-N
XLogP4.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide (CID 78865955) is N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)N(C)C(C)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
The InChIKey is WVEQBENQMAULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-11-4-9-16-15(10-11)17(21-20-16)18(23)22(3)12(2)13-5-7-14(19)8-6-13/h4-10,12H,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide has a molecular weight of 327.82 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N,5-dimethyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78865955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).