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

C21H28N4O — CID 4183319

IUPAC3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccccc3OC)c(C)nn12
InChIInChI=1S/C21H28N4O/c1-6-12-24(13-7-2)19-14-15(3)22-21-20(16(4)23-25(19)21)17-10-8-9-11-18(17)26-5/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyXPNTXELFGKOQDL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.65
Rot. Bonds7

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

3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4183319) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4183319
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccccc3OC)c(C)nn12
InChIInChI=1S/C21H28N4O/c1-6-12-24(13-7-2)19-14-15(3)22-21-20(16(4)23-25(19)21)17-10-8-9-11-18(17)26-5/h8-11,14H,6-7,12-13H2,1-5H3
InChIKeyXPNTXELFGKOQDL-UHFFFAOYSA-N
XLogP4.65
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pexacerfont
CID 9884366
N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 24895172
Bms-561388
CID 9908904
7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
Pyrazolo[1,5-a]-1,3,5-triazine, 12-21
CID 42618183
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4183319) is 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CCC)c1cc(C)nc2c(-c3ccccc3OC)c(C)nn12.
What is the InChIKey of 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XPNTXELFGKOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-6-12-24(13-7-2)19-14-15(3)22-21-20(16(4)23-25(19)21)17-10-8-9-11-18(17)26-5/h8-11,14H,6-7,12-13H2,1-5H3.
What are the key properties of 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 352.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4183319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).