N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C22H30N4 — CID 22474399

IUPACN-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cnn12
InChIInChI=1S/C22H30N4/c1-7-9-10-25(8-2)20-13-18(6)24-22-19(14-23-26(20)22)21-16(4)11-15(3)12-17(21)5/h11-14H,7-10H2,1-6H3
InChIKeyRXMSVJORRUABOD-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.26
Rot. Bonds6

About N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 22474399) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID22474399
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cnn12
InChIInChI=1S/C22H30N4/c1-7-9-10-25(8-2)20-13-18(6)24-22-19(14-23-26(20)22)21-16(4)11-15(3)12-17(21)5/h11-14H,7-10H2,1-6H3
InChIKeyRXMSVJORRUABOD-UHFFFAOYSA-N
XLogP5.26
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 22474399) is N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cnn12.
What is the InChIKey of N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RXMSVJORRUABOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-7-9-10-25(8-2)20-13-18(6)24-22-19(14-23-26(20)22)21-16(4)11-15(3)12-17(21)5/h11-14H,7-10H2,1-6H3.
What are the key properties of N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 350.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-5-methyl-3-(2,4,6-trimethylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 22474399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).