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

C19H17ClN6O — CID 4145589

IUPAC7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(Cl)cc2)n2nnnc2N1
InChIInChI=1S/C19H17ClN6O/c1-11-3-9-15(10-4-11)22-18(27)16-12(2)21-19-23-24-25-26(19)17(16)13-5-7-14(20)8-6-13/h3-10,17H,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyZQOCSEMLUIFEMQ-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.56
Rot. Bonds3

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

7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 4145589) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID4145589
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC Name7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(Cl)cc2)n2nnnc2N1
InChIInChI=1S/C19H17ClN6O/c1-11-3-9-15(10-4-11)22-18(27)16-12(2)21-19-23-24-25-26(19)17(16)13-5-7-14(20)8-6-13/h3-10,17H,1-2H3,(H,22,27)(H,21,23,25)
InChIKeyZQOCSEMLUIFEMQ-UHFFFAOYSA-N
XLogP3.56
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.56
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
N-(4-Chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(propan-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416479
2-{[(2-Chlorophenyl)methyl]sulfanyl}-7-[4-(diethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4349532
7-(4-(Diethylamino)phenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410504
N-(4-chlorophenyl)-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135413860
7-(2,4-Dichlorophenyl)-2-(ethylsulfanyl)-5-methyl-N-(2-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135437018
7-(4-fluorophenyl)-5-methyl-N-phenyl-4,7-dihydrotetraazolo[1,5-a]pyrimidine-6-carboxamide
CID 2791027
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
7-[4-(diethylamino)phenyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410509
N-(4-chlorophenyl)-5-methyl-2-[(2-methylbenzyl)sulfanyl]-7-(2-methylpropyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135419096

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 4145589) is 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(Cl)cc2)n2nnnc2N1.
What is the InChIKey of 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is ZQOCSEMLUIFEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-11-3-9-15(10-4-11)22-18(27)16-12(2)21-19-23-24-25-26(19)17(16)13-5-7-14(20)8-6-13/h3-10,17H,1-2H3,(H,22,27)(H,21,23,25).
What are the key properties of 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-5-methyl-N-(4-methylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4145589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).