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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270287
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752
N-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441056
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 82270770
N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620
6-chloro-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 779831
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895223
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441069
N',N'-dimethyl-N-(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)propane-1,3-diamine
CID 3229956
2-(4-methylphenyl)-5-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 1441414
N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994

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).