N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H15Cl2N7O — CID 18096350

IUPACN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)nc2n1
InChIInChI=1S/C18H15Cl2N7O/c1-10-8-11(2)27-18(22-10)24-16(25-27)17(28)23-14-6-7-21-26(14)9-12-4-3-5-13(19)15(12)20/h3-8H,9H2,1-2H3,(H,23,28)
InChIKeyNVPUWXDXLPHRPD-UHFFFAOYSA-N
MW416.27 g/mol
LogP3.55
Rot. Bonds4

About N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 18096350) has the molecular formula C18H15Cl2N7O and a molecular weight of 416.27 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID18096350
Molecular FormulaC18H15Cl2N7O
Molecular Weight416.27 g/mol
Exact Mass415.07
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)nc2n1
InChIInChI=1S/C18H15Cl2N7O/c1-10-8-11(2)27-18(22-10)24-16(25-27)17(28)23-14-6-7-21-26(14)9-12-4-3-5-13(19)15(12)20/h3-8H,9H2,1-2H3,(H,23,28)
InChIKeyNVPUWXDXLPHRPD-UHFFFAOYSA-N
XLogP3.55
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dichlorophenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26736872
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
CID 24509823
1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea
CID 119034354
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 18289526
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434210
N-[2-(2-chlorophenoxy)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37348111
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119274816
N-[(2-chlorophenyl)methyl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3390597
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 24509765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 18096350) is N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3Cl)nc2n1.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NVPUWXDXLPHRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N7O/c1-10-8-11(2)27-18(22-10)24-16(25-27)17(28)23-14-6-7-21-26(14)9-12-4-3-5-13(19)15(12)20/h3-8H,9H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 416.27 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 18096350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).