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

C21H19F3N6O — CID 19590040

IUPAC5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4cnc[nH]4)cc3n2)cc1C
InChIInChI=1S/C21H19F3N6O/c1-12-3-4-14(7-13(12)2)16-8-18(21(22,23)24)30-19(28-16)9-17(29-30)20(31)26-6-5-15-10-25-11-27-15/h3-4,7-11H,5-6H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyCONRTKCKTDOCJN-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.73
Rot. Bonds5

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

5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19590040) has the molecular formula C21H19F3N6O and a molecular weight of 428.42 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19590040
Molecular FormulaC21H19F3N6O
Molecular Weight428.42 g/mol
Exact Mass428.16
IUPAC Name5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4cnc[nH]4)cc3n2)cc1C
InChIInChI=1S/C21H19F3N6O/c1-12-3-4-14(7-13(12)2)16-8-18(21(22,23)24)30-19(28-16)9-17(29-30)20(31)26-6-5-15-10-25-11-27-15/h3-4,7-11H,5-6H2,1-2H3,(H,25,27)(H,26,31)
InChIKeyCONRTKCKTDOCJN-UHFFFAOYSA-N
XLogP3.73
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethylphenyl)-N-[(1-ethylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19331190
5-(4-fluorophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3122949
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19330196
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322654
5-(3,4-dimethylphenyl)-N-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346278
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17026464
5-(4-bromophenyl)-N-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1220675
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19396941
N-[2-(1H-imidazol-5-yl)ethyl]-2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 74250954
5-(3,4-dimethylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19399585
5-(3,4-dimethylphenyl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19408043
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19396503

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19590040) is 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4cnc[nH]4)cc3n2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CONRTKCKTDOCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O/c1-12-3-4-14(7-13(12)2)16-8-18(21(22,23)24)30-19(28-16)9-17(29-30)20(31)26-6-5-15-10-25-11-27-15/h3-4,7-11H,5-6H2,1-2H3,(H,25,27)(H,26,31).
What are the key properties of 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19590040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).