7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H21F3N4O2 — CID 3447380

IUPAC7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C24H21F3N4O2/c1-15-21(17-8-4-3-5-9-17)22-28-13-19(20(14-33-2)31(22)30-15)23(32)29-12-16-7-6-10-18(11-16)24(25,26)27/h3-11,13H,12,14H2,1-2H3,(H,29,32)
InChIKeyPVWFOEAHMYBTMP-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.80
Rot. Bonds6

About 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3447380) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3447380
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C24H21F3N4O2/c1-15-21(17-8-4-3-5-9-17)22-28-13-19(20(14-33-2)31(22)30-15)23(32)29-12-16-7-6-10-18(11-16)24(25,26)27/h3-11,13H,12,14H2,1-2H3,(H,29,32)
InChIKeyPVWFOEAHMYBTMP-UHFFFAOYSA-N
XLogP4.80
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943405
7-(methoxymethyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3903244
N-[(3-ethylphenyl)methyl]-4-phenyl-8-(trifluoromethyl)quinoline-3-carboxamide
CID 90749427
7-ethyl-2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7356314
N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4024125
5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
2,7-dimethyl-3-(3-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 20943415
ethyl 3-(4-chlorophenyl)-7-(methoxymethyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 126142439
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 42659793
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 3447380) is 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is COCc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is PVWFOEAHMYBTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-15-21(17-8-4-3-5-9-17)22-28-13-19(20(14-33-2)31(22)30-15)23(32)29-12-16-7-6-10-18(11-16)24(25,26)27/h3-11,13H,12,14H2,1-2H3,(H,29,32).
What are the key properties of 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?
7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3447380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).