2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H14ClF3N4O — CID 150529982

IUPAC2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2Cl)nn2c(-c3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C21H14ClF3N4O/c1-26-20(30)17-18(14-4-2-3-5-15(14)22)28-29-16(10-11-27-19(17)29)12-6-8-13(9-7-12)21(23,24)25/h2-11H,1H3,(H,26,30)
InChIKeyIDQFTEISIUYQNP-UHFFFAOYSA-N
MW430.82 g/mol
LogP5.10
Rot. Bonds3

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

2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 150529982) has the molecular formula C21H14ClF3N4O and a molecular weight of 430.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID150529982
Molecular FormulaC21H14ClF3N4O
Molecular Weight430.82 g/mol
Exact Mass430.08
IUPAC Name2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2Cl)nn2c(-c3ccc(C(F)(F)F)cc3)ccnc12
InChIInChI=1S/C21H14ClF3N4O/c1-26-20(30)17-18(14-4-2-3-5-15(14)22)28-29-16(10-11-27-19(17)29)12-6-8-13(9-7-12)21(23,24)25/h2-11H,1H3,(H,26,30)
InChIKeyIDQFTEISIUYQNP-UHFFFAOYSA-N
XLogP5.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.82
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-chlorophenyl)-3-[methyl(methylamino)carbamoyl]-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 16722826
6-(2-chlorophenyl)-2-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24772218
6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67273277
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide
CID 171682359
methyl 2-methyl-7-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 23329844
6-(2-chlorophenyl)-2-(difluoromethyl)-N-[(3S)-2,4-dioxothiolan-3-yl]-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87716997
ethyl 5-(2-chlorophenyl)-2-[methyl(methylsulfonyl)amino]-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 151127201
7-(2-chlorophenyl)-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855250
6-(2-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylsulfonyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 68915861
2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
CID 134626188
N-[4-[3-(2-chlorophenyl)pyrazin-2-yl]phenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126530751
3-(2-chlorophenyl)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 102358532

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 150529982) is 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1c(-c2ccccc2Cl)nn2c(-c3ccc(C(F)(F)F)cc3)ccnc12.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IDQFTEISIUYQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N4O/c1-26-20(30)17-18(14-4-2-3-5-15(14)22)28-29-16(10-11-27-19(17)29)12-6-8-13(9-7-12)21(23,24)25/h2-11H,1H3,(H,26,30).
What are the key properties of 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 430.82 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 150529982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).