N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C22H17ClF3N5O2 — CID 30315411

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nnc2c1-c1ccccc1
InChIInChI=1S/C22H17ClF3N5O2/c1-12-19(21(32)27-16-10-14(22(24,25)26)8-9-15(16)23)28-29-20-18(13-6-4-3-5-7-13)17(11-33-2)30-31(12)20/h3-10H,11H2,1-2H3,(H,27,32)
InChIKeyRJCIMONCEUXCRO-UHFFFAOYSA-N
MW475.86 g/mol
LogP5.17
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 30315411) has the molecular formula C22H17ClF3N5O2 and a molecular weight of 475.86 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID30315411
Molecular FormulaC22H17ClF3N5O2
Molecular Weight475.86 g/mol
Exact Mass475.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCOCc1nn2c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nnc2c1-c1ccccc1
InChIInChI=1S/C22H17ClF3N5O2/c1-12-19(21(32)27-16-10-14(22(24,25)26)8-9-15(16)23)28-29-20-18(13-6-4-3-5-7-13)17(11-33-2)30-31(12)20/h3-10H,11H2,1-2H3,(H,27,32)
InChIKeyRJCIMONCEUXCRO-UHFFFAOYSA-N
XLogP5.17
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.86
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(methoxymethyl)-4-methyl-N-(4-phenoxyphenyl)-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 29264833
8-(4-chlorophenyl)-7-(methoxymethyl)-4-methyl-N-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43832842
4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17079365
N-(3-chloro-4-fluorophenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 30315361
N-(2-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864222
7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methyl-N-(4-phenoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864209
8-(3-chlorophenyl)-7-ethyl-N-(2-methoxy-5-methylphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43840877
8-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)-7-ethyl-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 16652870
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 6462995
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
ethyl 7-(methoxymethyl)-8-phenyl-4-propylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 29264820

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 30315411) is N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is COCc1nn2c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nnc2c1-c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is RJCIMONCEUXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N5O2/c1-12-19(21(32)27-16-10-14(22(24,25)26)8-9-15(16)23)28-29-20-18(13-6-4-3-5-7-13)17(11-33-2)30-31(12)20/h3-10H,11H2,1-2H3,(H,27,32).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 475.86 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-methyl-8-phenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 30315411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).