N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21F3N6O — CID 57481047

IUPACN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4cn(C)nc4C)c3n2)cc1
InChIInChI=1S/C22H21F3N6O/c1-13-4-6-15(7-5-13)18-10-19(22(23,24)25)31-20(28-18)17(11-27-31)21(32)26-9-8-16-12-30(3)29-14(16)2/h4-7,10-12H,8-9H2,1-3H3,(H,26,32)
InChIKeyCJASPSMPEVEMLU-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 57481047) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID57481047
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4cn(C)nc4C)c3n2)cc1
InChIInChI=1S/C22H21F3N6O/c1-13-4-6-15(7-5-13)18-10-19(22(23,24)25)31-20(28-18)17(11-27-31)21(32)26-9-8-16-12-30(3)29-14(16)2/h4-7,10-12H,8-9H2,1-3H3,(H,26,32)
InChIKeyCJASPSMPEVEMLU-UHFFFAOYSA-N
XLogP3.74
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 57481047) is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4cn(C)nc4C)c3n2)cc1.
What is the InChIKey of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CJASPSMPEVEMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-13-4-6-15(7-5-13)18-10-19(22(23,24)25)31-20(28-18)17(11-27-31)21(32)26-9-8-16-12-30(3)29-14(16)2/h4-7,10-12H,8-9H2,1-3H3,(H,26,32).
What are the key properties of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 57481047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).