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

C21H18ClF3N6O2 — CID 19451652

IUPAC3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(OCn2cc(NC(=O)c3nn4c(C(F)(F)F)cc(C)nc4c3Cl)cn2)c(C)c1
InChIInChI=1S/C21H18ClF3N6O2/c1-11-4-5-15(12(2)6-11)33-10-30-9-14(8-26-30)28-20(32)18-17(22)19-27-13(3)7-16(21(23,24)25)31(19)29-18/h4-9H,10H2,1-3H3,(H,28,32)
InChIKeyIIYOMBQTNBPRQR-UHFFFAOYSA-N
MW478.86 g/mol
LogP4.81
Rot. Bonds5

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

3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19451652) has the molecular formula C21H18ClF3N6O2 and a molecular weight of 478.86 g/mol. Its IUPAC name is 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19451652
Molecular FormulaC21H18ClF3N6O2
Molecular Weight478.86 g/mol
Exact Mass478.11
IUPAC Name3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(OCn2cc(NC(=O)c3nn4c(C(F)(F)F)cc(C)nc4c3Cl)cn2)c(C)c1
InChIInChI=1S/C21H18ClF3N6O2/c1-11-4-5-15(12(2)6-11)33-10-30-9-14(8-26-30)28-20(32)18-17(22)19-27-13(3)7-16(21(23,24)25)31(19)29-18/h4-9H,10H2,1-3H3,(H,28,32)
InChIKeyIIYOMBQTNBPRQR-UHFFFAOYSA-N
XLogP4.81
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.86
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19410433
3-chloro-N-(4-ethoxyphenyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451523
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474706
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-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451562
1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323
3-(4-chloropyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19539672
3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19451479
3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19327823
3-chloro-5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464290
propan-2-yl 4-[[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404435
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276061

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19451652) is 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(OCn2cc(NC(=O)c3nn4c(C(F)(F)F)cc(C)nc4c3Cl)cn2)c(C)c1.
What is the InChIKey of 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IIYOMBQTNBPRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N6O2/c1-11-4-5-15(12(2)6-11)33-10-30-9-14(8-26-30)28-20(32)18-17(22)19-27-13(3)7-16(21(23,24)25)31(19)29-18/h4-9H,10H2,1-3H3,(H,28,32).
What are the key properties of 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 478.86 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19451652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).