5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine

C17H18N4 — CID 3227937

IUPAC5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=CCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C17H18N4/c1-4-9-18-16-10-13(3)19-17-11-15(20-21(16)17)14-7-5-12(2)6-8-14/h4-8,10-11,18H,1,9H2,2-3H3
InChIKeyFJHQVYNCVLCBBJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.61
Rot. Bonds4

About 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3227937) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3227937
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=CCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C17H18N4/c1-4-9-18-16-10-13(3)19-17-11-15(20-21(16)17)14-7-5-12(2)6-8-14/h4-8,10-11,18H,1,9H2,2-3H3
InChIKeyFJHQVYNCVLCBBJ-UHFFFAOYSA-N
XLogP3.61
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3227937) is 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine is C=CCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FJHQVYNCVLCBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-4-9-18-16-10-13(3)19-17-11-15(20-21(16)17)14-7-5-12(2)6-8-14/h4-8,10-11,18H,1,9H2,2-3H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 278.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3227937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).