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

C26H20ClF3N6O2 — CID 19408661

IUPACN-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cnn(COc5cccc(Cl)c5)c4)cc3n2)cc1C
InChIInChI=1S/C26H20ClF3N6O2/c1-15-6-7-17(8-16(15)2)21-10-23(26(28,29)30)36-24(33-21)11-22(34-36)25(37)32-19-12-31-35(13-19)14-38-20-5-3-4-18(27)9-20/h3-13H,14H2,1-2H3,(H,32,37)
InChIKeyDASUYYYNWSXYCW-UHFFFAOYSA-N
MW540.93 g/mol
LogP6.17
Rot. Bonds6

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

N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19408661) has the molecular formula C26H20ClF3N6O2 and a molecular weight of 540.93 g/mol. Its IUPAC name is N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19408661
Molecular FormulaC26H20ClF3N6O2
Molecular Weight540.93 g/mol
Exact Mass540.13
IUPAC NameN-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cnn(COc5cccc(Cl)c5)c4)cc3n2)cc1C
InChIInChI=1S/C26H20ClF3N6O2/c1-15-6-7-17(8-16(15)2)21-10-23(26(28,29)30)36-24(33-21)11-22(34-36)25(37)32-19-12-31-35(13-19)14-38-20-5-3-4-18(27)9-20/h3-13H,14H2,1-2H3,(H,32,37)
InChIKeyDASUYYYNWSXYCW-UHFFFAOYSA-N
XLogP6.17
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.93
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19408659
5-(3,4-dimethylphenyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19399585
5-(3,4-dimethylphenyl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19408043
5-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19410278
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19340651
5-(4-chlorophenyl)-7-(trifluoromethyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346955
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 993745
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19396941
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19404103
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19284450
N-[1-(methoxymethyl)pyrazol-4-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453795
5-(3,4-dimethylphenyl)-N-(1,3-dimethylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19346278

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19408661) is N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cnn(COc5cccc(Cl)c5)c4)cc3n2)cc1C.
What is the InChIKey of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DASUYYYNWSXYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N6O2/c1-15-6-7-17(8-16(15)2)21-10-23(26(28,29)30)36-24(33-21)11-22(34-36)25(37)32-19-12-31-35(13-19)14-38-20-5-3-4-18(27)9-20/h3-13H,14H2,1-2H3,(H,32,37).
What are the key properties of N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 540.93 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19408661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).