N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

C19H14ClF3N6O — CID 135413860

IUPACN-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccc(C(F)(F)F)cc2)n2nnnc2N1
InChIInChI=1S/C19H14ClF3N6O/c1-10-15(17(30)25-14-8-6-13(20)7-9-14)16(29-18(24-10)26-27-28-29)11-2-4-12(5-3-11)19(21,22)23/h2-9,16H,1H3,(H,25,30)(H,24,26,28)
InChIKeyZMXOQVSLRHOIOS-UHFFFAOYSA-N
MW434.81 g/mol
LogP4.27
Rot. Bonds3

About N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide

N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135413860) has the molecular formula C19H14ClF3N6O and a molecular weight of 434.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135413860
Molecular FormulaC19H14ClF3N6O
Molecular Weight434.81 g/mol
Exact Mass434.09
IUPAC NameN-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccc(C(F)(F)F)cc2)n2nnnc2N1
InChIInChI=1S/C19H14ClF3N6O/c1-10-15(17(30)25-14-8-6-13(20)7-9-14)16(29-18(24-10)26-27-28-29)11-2-4-12(5-3-11)19(21,22)23/h2-9,16H,1H3,(H,25,30)(H,24,26,28)
InChIKeyZMXOQVSLRHOIOS-UHFFFAOYSA-N
XLogP4.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.81
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410515
7-(4-Chlorophenyl)-5-methyl-N-(4-methylphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 4145589
7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxamide
CID 2791027
7-(2-Bromo-6-fluorophenyl)-N-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4127150
N-(4-chlorophenyl)-7-(3-fluorophenyl)-5-methyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxamide
CID 4401525
N-(4-chlorophenyl)-7-(4-ethylphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4450997
7-(2-Chlorophenyl)-5-methyl-N-(4-methylphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 4611158
5-Methyl-7-phenyl-N-[3-(trifluoromethyl)phenyl]-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135410513
N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 135572425
N-(4-Chlorophenyl)-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 135572429
N-(2,4-dimethylphenyl)-7-(3-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135572447
N-(2,4-dimethylphenyl)-7-(2-fluorophenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135572448

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135413860) is N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccc(C(F)(F)F)cc2)n2nnnc2N1.
What is the InChIKey of N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZMXOQVSLRHOIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N6O/c1-10-15(17(30)25-14-8-6-13(20)7-9-14)16(29-18(24-10)26-27-28-29)11-2-4-12(5-3-11)19(21,22)23/h2-9,16H,1H3,(H,25,30)(H,24,26,28).
What are the key properties of N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 434.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135413860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).