N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H15Cl2F3N6O — CID 19322656

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C20H15Cl2F3N6O/c1-2-30-16(13(22)9-27-30)10-26-19(32)15-8-18-28-14(11-3-5-12(21)6-4-11)7-17(20(23,24)25)31(18)29-15/h3-9H,2,10H2,1H3,(H,26,32)
InChIKeyRKSPXLFWDUZBIJ-UHFFFAOYSA-N
MW483.28 g/mol
LogP4.87
Rot. Bonds5

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

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19322656) has the molecular formula C20H15Cl2F3N6O and a molecular weight of 483.28 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19322656
Molecular FormulaC20H15Cl2F3N6O
Molecular Weight483.28 g/mol
Exact Mass482.06
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C20H15Cl2F3N6O/c1-2-30-16(13(22)9-27-30)10-26-19(32)15-8-18-28-14(11-3-5-12(21)6-4-11)7-17(20(23,24)25)31(18)29-15/h3-9H,2,10H2,1H3,(H,26,32)
InChIKeyRKSPXLFWDUZBIJ-UHFFFAOYSA-N
XLogP4.87
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.28
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322654
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-naphthalen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19324686
N-[(4-chlorophenyl)methyl]-5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111303
N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19339996
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19322964
5-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3914662
5-(4-fluorophenyl)-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3122949
N-(1-adamantylmethyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3601474
5-(3,4-dichlorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2871006
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440917
N-[(2-methylpyrazol-3-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19292663
5-(4-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19450000

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19322656) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1ncc(Cl)c1CNC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is RKSPXLFWDUZBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2F3N6O/c1-2-30-16(13(22)9-27-30)10-26-19(32)15-8-18-28-14(11-3-5-12(21)6-4-11)7-17(20(23,24)25)31(18)29-15/h3-9H,2,10H2,1H3,(H,26,32).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 483.28 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19322656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).