2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine

C20H26N4 — CID 12982784

IUPAC2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C20H26N4/c1-5-12-23(13-6-2)18-14-15(3)21-20-19(16(4)22-24(18)20)17-10-8-7-9-11-17/h7-11,14H,5-6,12-13H2,1-4H3
InChIKeyNBWJVGCPMCIGMO-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.64
Rot. Bonds6

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

2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 12982784) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID12982784
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CCC)c1cc(C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C20H26N4/c1-5-12-23(13-6-2)18-14-15(3)21-20-19(16(4)22-24(18)20)17-10-8-7-9-11-17/h7-11,14H,5-6,12-13H2,1-4H3
InChIKeyNBWJVGCPMCIGMO-UHFFFAOYSA-N
XLogP4.64
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine (CID 12982784) is 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CCC)c1cc(C)nc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NBWJVGCPMCIGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-5-12-23(13-6-2)18-14-15(3)21-20-19(16(4)22-24(18)20)17-10-8-7-9-11-17/h7-11,14H,5-6,12-13H2,1-4H3.
What are the key properties of 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 322.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-phenyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 12982784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).