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

C24H20F4N4O — CID 19457636

IUPACN-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C24H20F4N4O/c1-14(2)16-5-7-17(8-6-16)20-11-21(24(26,27)28)32-22(31-20)19(13-30-32)23(33)29-12-15-3-9-18(25)10-4-15/h3-11,13-14H,12H2,1-2H3,(H,29,33)
InChIKeyWSMOBCCLXUXIRE-UHFFFAOYSA-N
MW456.44 g/mol
LogP5.61
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19457636) has the molecular formula C24H20F4N4O and a molecular weight of 456.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19457636
Molecular FormulaC24H20F4N4O
Molecular Weight456.44 g/mol
Exact Mass456.16
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3n2)cc1
InChIInChI=1S/C24H20F4N4O/c1-14(2)16-5-7-17(8-6-16)20-11-21(24(26,27)28)32-22(31-20)19(13-30-32)23(33)29-12-15-3-9-18(25)10-4-15/h3-11,13-14H,12H2,1-2H3,(H,29,33)
InChIKeyWSMOBCCLXUXIRE-UHFFFAOYSA-N
XLogP5.61
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457700
5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457724
5-(4-fluorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4261634
5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19456030
ethyl 5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 998722
N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457731
N-(1,5-dimethylpyrazol-4-yl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457720
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457818
N-(1-adamantylmethyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4917372
N-(2,4-difluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298807
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3131909
ethyl 4-[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperazine-1-carboxylate
CID 19441568

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19457636) is N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccc(F)cc4)c3n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WSMOBCCLXUXIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N4O/c1-14(2)16-5-7-17(8-6-16)20-11-21(24(26,27)28)32-22(31-20)19(13-30-32)23(33)29-12-15-3-9-18(25)10-4-15/h3-11,13-14H,12H2,1-2H3,(H,29,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19457636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).