N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15ClF2N4O — CID 2168967

IUPACN-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCCc3ccccc3Cl)c2n1
InChIInChI=1S/C17H15ClF2N4O/c1-10-8-14(15(19)20)24-16(23-10)12(9-22-24)17(25)21-7-6-11-4-2-3-5-13(11)18/h2-5,8-9,15H,6-7H2,1H3,(H,21,25)
InChIKeyNEEISKREXRTEQE-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2168967) has the molecular formula C17H15ClF2N4O and a molecular weight of 364.78 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2168967
Molecular FormulaC17H15ClF2N4O
Molecular Weight364.78 g/mol
Exact Mass364.09
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCCc3ccccc3Cl)c2n1
InChIInChI=1S/C17H15ClF2N4O/c1-10-8-14(15(19)20)24-16(23-10)12(9-22-24)17(25)21-7-6-11-4-2-3-5-13(11)18/h2-5,8-9,15H,6-7H2,1H3,(H,21,25)
InChIKeyNEEISKREXRTEQE-UHFFFAOYSA-N
XLogP3.60
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2168967) is N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)NCCc3ccccc3Cl)c2n1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NEEISKREXRTEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4O/c1-10-8-14(15(19)20)24-16(23-10)12(9-22-24)17(25)21-7-6-11-4-2-3-5-13(11)18/h2-5,8-9,15H,6-7H2,1H3,(H,21,25).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 364.78 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2168967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).