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

C25H27F3N6O — CID 19466724

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)c(C)n1
InChIInChI=1S/C25H27F3N6O/c1-6-33-13-19(16(5)31-33)15(4)29-24(35)21-12-23-30-20(11-22(25(26,27)28)34(23)32-21)18-9-7-17(8-10-18)14(2)3/h7-15H,6H2,1-5H3,(H,29,35)
InChIKeyDYANOFJPZLNUCN-UHFFFAOYSA-N
MW484.53 g/mol
LogP5.55
Rot. Bonds6

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

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19466724) has the molecular formula C25H27F3N6O and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19466724
Molecular FormulaC25H27F3N6O
Molecular Weight484.53 g/mol
Exact Mass484.22
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)c(C)n1
InChIInChI=1S/C25H27F3N6O/c1-6-33-13-19(16(5)31-33)15(4)29-24(35)21-12-23-30-20(11-22(25(26,27)28)34(23)32-21)18-9-7-17(8-10-18)14(2)3/h7-15H,6H2,1-5H3,(H,29,35)
InChIKeyDYANOFJPZLNUCN-UHFFFAOYSA-N
XLogP5.55
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chlorothiophen-2-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3606754
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19288556
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19288757
5-(4-fluorophenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451781
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339996
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19340651
5-(3,4-dichlorophenyl)-N-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111316
N-[1-(4-butan-2-ylphenyl)propyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451782
N-[(2S)-butan-2-yl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111285
N-[(2-methylpyrazol-3-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19292663
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19295370
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19392693

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19466724) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(C(C)NC(=O)c2cc3nc(-c4ccc(C(C)C)cc4)cc(C(F)(F)F)n3n2)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DYANOFJPZLNUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O/c1-6-33-13-19(16(5)31-33)15(4)29-24(35)21-12-23-30-20(11-22(25(26,27)28)34(23)32-21)18-9-7-17(8-10-18)14(2)3/h7-15H,6H2,1-5H3,(H,29,35).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19466724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).