N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H15ClF4N4O3 — CID 2173697

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(F)cc4)nc23)c(OC)cc1Cl
InChIInChI=1S/C22H15ClF4N4O3/c1-33-17-8-16(18(34-2)7-14(17)23)30-21(32)13-10-28-31-19(22(25,26)27)9-15(29-20(13)31)11-3-5-12(24)6-4-11/h3-10H,1-2H3,(H,30,32)
InChIKeyOVDRYJOHIPVOPI-UHFFFAOYSA-N
MW494.83 g/mol
LogP5.48
Rot. Bonds5

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

N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2173697) has the molecular formula C22H15ClF4N4O3 and a molecular weight of 494.83 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2173697
Molecular FormulaC22H15ClF4N4O3
Molecular Weight494.83 g/mol
Exact Mass494.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(F)cc4)nc23)c(OC)cc1Cl
InChIInChI=1S/C22H15ClF4N4O3/c1-33-17-8-16(18(34-2)7-14(17)23)30-21(32)13-10-28-31-19(22(25,26)27)9-15(29-20(13)31)11-3-5-12(24)6-4-11/h3-10H,1-2H3,(H,30,32)
InChIKeyOVDRYJOHIPVOPI-UHFFFAOYSA-N
XLogP5.48
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.83
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298807
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333504
N-(3-chlorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298665
5-(4-fluorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4261634
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1370414
N-(5-bromo-2-hydroxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2237046
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
N-(2-methylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174343
N-(4-bromophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046587
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1110985
N-(4-acetylphenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2872128
5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 650903

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2173697) is N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(F)cc4)nc23)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OVDRYJOHIPVOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N4O3/c1-33-17-8-16(18(34-2)7-14(17)23)30-21(32)13-10-28-31-19(22(25,26)27)9-15(29-20(13)31)11-3-5-12(24)6-4-11/h3-10H,1-2H3,(H,30,32).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 494.83 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2173697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).