N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H15Cl2N7O — CID 19440752

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ncn(Cc4c(Cl)cccc4Cl)n3)c2n1
InChIInChI=1S/C18H15Cl2N7O/c1-10-6-11(2)27-16(23-10)12(7-22-27)17(28)24-18-21-9-26(25-18)8-13-14(19)4-3-5-15(13)20/h3-7,9H,8H2,1-2H3,(H,24,25,28)
InChIKeyBUJMDDHEWBEEPL-UHFFFAOYSA-N
MW416.27 g/mol
LogP3.55
Rot. Bonds4

About N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440752) has the molecular formula C18H15Cl2N7O and a molecular weight of 416.27 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440752
Molecular FormulaC18H15Cl2N7O
Molecular Weight416.27 g/mol
Exact Mass415.07
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ncn(Cc4c(Cl)cccc4Cl)n3)c2n1
InChIInChI=1S/C18H15Cl2N7O/c1-10-6-11(2)27-16(23-10)12(7-22-27)17(28)24-18-21-9-26(25-18)8-13-14(19)4-3-5-15(13)20/h3-7,9H,8H2,1-2H3,(H,24,25,28)
InChIKeyBUJMDDHEWBEEPL-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-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440746
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416383
5,7-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440727
4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19479386
N-(4-anilinophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166204350
N-(2-aminophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 43621544
N-[1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440511
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440776
5,7-dimethyl-N-(2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39112162
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276306
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262606
N-(3-chloro-2-methylphenyl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416189

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440752) is N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ncn(Cc4c(Cl)cccc4Cl)n3)c2n1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BUJMDDHEWBEEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N7O/c1-10-6-11(2)27-16(23-10)12(7-22-27)17(28)24-18-21-9-26(25-18)8-13-14(19)4-3-5-15(13)20/h3-7,9H,8H2,1-2H3,(H,24,25,28).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-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-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).