N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H13Cl2F3N4O2 — CID 1046515

IUPACN-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3n2)cc1
InChIInChI=1S/C21H13Cl2F3N4O2/c1-32-13-5-2-11(3-6-13)16-9-18(21(24,25)26)30-19(28-16)10-17(29-30)20(31)27-12-4-7-14(22)15(23)8-12/h2-10H,1H3,(H,27,31)
InChIKeyDSAZIGIRPWBRQN-UHFFFAOYSA-N
MW481.26 g/mol
LogP5.98
Rot. Bonds4

About N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1046515) has the molecular formula C21H13Cl2F3N4O2 and a molecular weight of 481.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1046515
Molecular FormulaC21H13Cl2F3N4O2
Molecular Weight481.26 g/mol
Exact Mass480.04
IUPAC NameN-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3n2)cc1
InChIInChI=1S/C21H13Cl2F3N4O2/c1-32-13-5-2-11(3-6-13)16-9-18(21(24,25)26)30-19(28-16)10-17(29-30)20(31)27-12-4-7-14(22)15(23)8-12/h2-10H,1H3,(H,27,31)
InChIKeyDSAZIGIRPWBRQN-UHFFFAOYSA-N
XLogP5.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.26
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1046515) is N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3n2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DSAZIGIRPWBRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N4O2/c1-32-13-5-2-11(3-6-13)16-9-18(21(24,25)26)30-19(28-16)10-17(29-30)20(31)27-12-4-7-14(22)15(23)8-12/h2-10H,1H3,(H,27,31).
What are the key properties of N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 481.26 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1046515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).