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

C25H16Cl2F4N6O2 — CID 19464497

IUPAC3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nn(Cc5ccc(F)cc5)cc4Cl)c(Cl)c3n2)c1
InChIInChI=1S/C25H16Cl2F4N6O2/c1-39-16-4-2-3-14(9-16)18-10-19(25(29,30)31)37-23(32-18)20(27)21(34-37)24(38)33-22-17(26)12-36(35-22)11-13-5-7-15(28)8-6-13/h2-10,12H,11H2,1H3,(H,33,35,38)
InChIKeyAQHOLJJYJXZXBH-UHFFFAOYSA-N
MW579.34 g/mol
LogP6.37
Rot. Bonds6

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

3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19464497) has the molecular formula C25H16Cl2F4N6O2 and a molecular weight of 579.34 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19464497
Molecular FormulaC25H16Cl2F4N6O2
Molecular Weight579.34 g/mol
Exact Mass578.06
IUPAC Name3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nn(Cc5ccc(F)cc5)cc4Cl)c(Cl)c3n2)c1
InChIInChI=1S/C25H16Cl2F4N6O2/c1-39-16-4-2-3-14(9-16)18-10-19(25(29,30)31)37-23(32-18)20(27)21(34-37)24(38)33-22-17(26)12-36(35-22)11-13-5-7-15(28)8-6-13/h2-10,12H,11H2,1H3,(H,33,35,38)
InChIKeyAQHOLJJYJXZXBH-UHFFFAOYSA-N
XLogP6.37
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.34
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464437
3-chloro-5-(3-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464526
3-chloro-N-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464255
N-butyl-3-chloro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464528
3-chloro-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464506
3-chloro-5-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464350
3-chloro-5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464290
3-chloro-N-cyclopropyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464292
3-chloro-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19398821
3-chloro-5-(3-methoxyphenyl)-N-(1-methylbenzimidazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464315
3-chloro-N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3124876
[3-chloro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441722

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19464497) is 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4nn(Cc5ccc(F)cc5)cc4Cl)c(Cl)c3n2)c1.
What is the InChIKey of 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AQHOLJJYJXZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16Cl2F4N6O2/c1-39-16-4-2-3-14(9-16)18-10-19(25(29,30)31)37-23(32-18)20(27)21(34-37)24(38)33-22-17(26)12-36(35-22)11-13-5-7-15(28)8-6-13/h2-10,12H,11H2,1H3,(H,33,35,38).
What are the key properties of 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 579.34 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19464497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).