N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C24H18ClN5O — CID 17198117

IUPACN-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1cccc2ccccc12
InChIInChI=1S/C24H18ClN5O/c1-14-21(18-11-7-9-16-8-3-4-10-17(16)18)23-28-27-22(15(2)30(23)29-14)24(31)26-20-13-6-5-12-19(20)25/h3-13H,1-2H3,(H,26,31)
InChIKeyCXZJLCGNRSIQRC-UHFFFAOYSA-N
MW427.90 g/mol
LogP5.47
Rot. Bonds3

About N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 17198117) has the molecular formula C24H18ClN5O and a molecular weight of 427.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID17198117
Molecular FormulaC24H18ClN5O
Molecular Weight427.90 g/mol
Exact Mass427.12
IUPAC NameN-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1cccc2ccccc12
InChIInChI=1S/C24H18ClN5O/c1-14-21(18-11-7-9-16-8-3-4-10-17(16)18)23-28-27-22(15(2)30(23)29-14)24(31)26-20-13-6-5-12-19(20)25/h3-13H,1-2H3,(H,26,31)
InChIKeyCXZJLCGNRSIQRC-UHFFFAOYSA-N
XLogP5.47
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.90
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 17198117) is N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1cccc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is CXZJLCGNRSIQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O/c1-14-21(18-11-7-9-16-8-3-4-10-17(16)18)23-28-27-22(15(2)30(23)29-14)24(31)26-20-13-6-5-12-19(20)25/h3-13H,1-2H3,(H,26,31).
What are the key properties of N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 427.90 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,7-dimethyl-8-naphthalen-1-ylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 17198117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).