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

C20H25ClN4 — CID 11462455

IUPAC3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C20H25ClN4/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
InChIKeyDOPVGJROKFQOTD-UHFFFAOYSA-N
MW356.90 g/mol
LogP5.29
Rot. Bonds6

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

3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11462455) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11462455
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C20H25ClN4/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
InChIKeyDOPVGJROKFQOTD-UHFFFAOYSA-N
XLogP5.29
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.90
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
(R)-Zinc-3573
CID 95882507
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
PD-171729
CID 9800614
PF 9366-Bio-X
CID 12612431
4-(4-Benzyl-1,5-dimethyl-1H-pyrazol-3-yl)-6-chloropyrimidin-2-amine
CID 156612922
(E)-6-chloro-5,8-dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)vinyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 90026501

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11462455) is 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cc3)c(C)nn12.
What is the InChIKey of 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DOPVGJROKFQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4/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-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.90 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11462455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).