N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C19H12ClF2N5O — CID 30315339

IUPACN-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C19H12ClF2N5O/c1-10-17(19(28)24-13-6-7-16(22)15(20)8-13)25-26-18-14(9-23-27(10)18)11-2-4-12(21)5-3-11/h2-9H,1H3,(H,24,28)
InChIKeyLYRBJNJDQPAHMO-UHFFFAOYSA-N
MW399.79 g/mol
LogP4.28
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 30315339) has the molecular formula C19H12ClF2N5O and a molecular weight of 399.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID30315339
Molecular FormulaC19H12ClF2N5O
Molecular Weight399.79 g/mol
Exact Mass399.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnc2c(-c3ccc(F)cc3)cnn12
InChIInChI=1S/C19H12ClF2N5O/c1-10-17(19(28)24-13-6-7-16(22)15(20)8-13)25-26-18-14(9-23-27(10)18)11-2-4-12(21)5-3-11/h2-9H,1H3,(H,24,28)
InChIKeyLYRBJNJDQPAHMO-UHFFFAOYSA-N
XLogP4.28
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-chlorophenyl)-N-(4-ethylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315114
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CID 30315361
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CID 20862542
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 30315339) is N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)nnc2c(-c3ccc(F)cc3)cnn12.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is LYRBJNJDQPAHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N5O/c1-10-17(19(28)24-13-6-7-16(22)15(20)8-13)25-26-18-14(9-23-27(10)18)11-2-4-12(21)5-3-11/h2-9H,1H3,(H,24,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 399.79 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-8-(4-fluorophenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 30315339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).