3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

C20H25FN4 — CID 11393653

IUPAC3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn12
InChIInChI=1S/C20H25FN4/c1-5-11-24(12-6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-7-9-17(21)10-8-16/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyJPACBVHXSYUFAG-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.78
Rot. Bonds6

About 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11393653) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11393653
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn12
InChIInChI=1S/C20H25FN4/c1-5-11-24(12-6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-7-9-17(21)10-8-16/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyJPACBVHXSYUFAG-UHFFFAOYSA-N
XLogP4.78
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(4-chlorophenyl)-N,2,5-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4144297
N,N,2,5-tetramethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71463223
5,7-dichloro-3-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274361
3-(4-fluorophenyl)-2,5-dimethyl-7-(4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 46299110
2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142648104
N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 16668386
N-[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine
CID 3231323
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
2-[[10-(4-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]-methylamino]ethanol
CID 16668323
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355
3-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11351594

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11393653) is 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CCC)c1cc(C)nc2c(-c3ccc(F)cc3)c(C)nn12.
What is the InChIKey of 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JPACBVHXSYUFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4/c1-5-11-24(12-6-2)18-13-14(3)22-20-19(15(4)23-25(18)20)16-7-9-17(21)10-8-16/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11393653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).