2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C19H19ClF2N4 — CID 122619987

IUPAC2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CC(F)(F)C2)n2nc(C(C)c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C19H19ClF2N4/c1-11-7-17(24-15-9-19(21,22)10-15)26-18(23-11)8-16(25-26)12(2)13-3-5-14(20)6-4-13/h3-8,12,15,24H,9-10H2,1-2H3
InChIKeyRJYMGYDZACDIJK-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.05
Rot. Bonds4

About 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 122619987) has the molecular formula C19H19ClF2N4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID122619987
Molecular FormulaC19H19ClF2N4
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CC(F)(F)C2)n2nc(C(C)c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C19H19ClF2N4/c1-11-7-17(24-15-9-19(21,22)10-15)26-18(23-11)8-16(25-26)12(2)13-3-5-14(20)6-4-13/h3-8,12,15,24H,9-10H2,1-2H3
InChIKeyRJYMGYDZACDIJK-UHFFFAOYSA-N
XLogP5.05
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 7416167
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
4-(3-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1950294
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3813473
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3804160
3-(4-Chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 753149

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 122619987) is 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CC(F)(F)C2)n2nc(C(C)c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RJYMGYDZACDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4/c1-11-7-17(24-15-9-19(21,22)10-15)26-18(23-11)8-16(25-26)12(2)13-3-5-14(20)6-4-13/h3-8,12,15,24H,9-10H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 376.84 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl]-N-(3,3-difluorocyclobutyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 122619987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).