2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide

C22H21Cl2N5O — CID 59292087

IUPAC2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
SMILESCc1nn(CCn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)c(C)c1Cl
InChIInChI=1S/C22H21Cl2N5O/c1-14-21(24)15(2)29(26-14)9-8-28-13-18-7-6-17(11-20(18)27-28)22(30)25-12-16-4-3-5-19(23)10-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,25,30)
InChIKeyZXJPTKFLOBMLID-UHFFFAOYSA-N
MW442.35 g/mol
LogP4.79
Rot. Bonds6

About 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide

2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide (PubChem CID 59292087) has the molecular formula C22H21Cl2N5O and a molecular weight of 442.35 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
PubChem CID59292087
Molecular FormulaC22H21Cl2N5O
Molecular Weight442.35 g/mol
Exact Mass441.11
IUPAC Name2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
SMILESCc1nn(CCn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)c(C)c1Cl
InChIInChI=1S/C22H21Cl2N5O/c1-14-21(24)15(2)29(26-14)9-8-28-13-18-7-6-17(11-20(18)27-28)22(30)25-12-16-4-3-5-19(23)10-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,25,30)
InChIKeyZXJPTKFLOBMLID-UHFFFAOYSA-N
XLogP4.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
CID 24760691
N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
CID 59292101
N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
CID 59292094
N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
CID 59292100
1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 1091765
N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
CID 59292115
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide (CID 59292087) is 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide is Cc1nn(CCn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)c(C)c1Cl.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide?
The InChIKey is ZXJPTKFLOBMLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N5O/c1-14-21(24)15(2)29(26-14)9-8-28-13-18-7-6-17(11-20(18)27-28)22(30)25-12-16-4-3-5-19(23)10-16/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,25,30).
What are the key properties of 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide?
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide has a molecular weight of 442.35 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 59292087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).