3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

C15H16N4 — CID 134445596

IUPAC3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCc1ccccc1-c1cnn2ccc(NC)nc12
InChIInChI=1S/C15H16N4/c1-3-11-6-4-5-7-12(11)13-10-17-19-9-8-14(16-2)18-15(13)19/h4-10H,3H2,1-2H3,(H,16,18)
InChIKeyCOPASODGTUDTCD-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.00
Rot. Bonds3

About 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine

3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 134445596) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID134445596
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCc1ccccc1-c1cnn2ccc(NC)nc12
InChIInChI=1S/C15H16N4/c1-3-11-6-4-5-7-12(11)13-10-17-19-9-8-14(16-2)18-15(13)19/h4-10H,3H2,1-2H3,(H,16,18)
InChIKeyCOPASODGTUDTCD-UHFFFAOYSA-N
XLogP3.00
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine (CID 134445596) is 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is CCc1ccccc1-c1cnn2ccc(NC)nc12.
What is the InChIKey of 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is COPASODGTUDTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-11-6-4-5-7-12(11)13-10-17-19-9-8-14(16-2)18-15(13)19/h4-10H,3H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 252.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 134445596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).