3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide

C15H17N5O — CID 46404551

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C15H17N5O/c1-4-7-17-14(21)6-5-13-10(2)19-15-12(8-16)9-18-20(15)11(13)3/h4,9H,1,5-7H2,2-3H3,(H,17,21)
InChIKeyZVJMPPQQMBSMBB-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.45
Rot. Bonds5

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide (PubChem CID 46404551) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
PubChem CID46404551
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C
InChIInChI=1S/C15H17N5O/c1-4-7-17-14(21)6-5-13-10(2)19-15-12(8-16)9-18-20(15)11(13)3/h4,9H,1,5-7H2,2-3H3,(H,17,21)
InChIKeyZVJMPPQQMBSMBB-UHFFFAOYSA-N
XLogP1.45
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide
CID 9404425
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 60621717
N'-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]pyridine-3-carbohydrazide
CID 55624516
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 46411974
N-(2-benzylsulfonylethyl)-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 47056071
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 55623654
methyl 2-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoylamino]-2-phenylacetate
CID 60609725
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 60571859
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanamide
CID 86971040
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]propanamide
CID 55672002
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
CID 55849136
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86930802

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide (CID 46404551) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide?
The InChIKey is ZVJMPPQQMBSMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-4-7-17-14(21)6-5-13-10(2)19-15-12(8-16)9-18-20(15)11(13)3/h4,9H,1,5-7H2,2-3H3,(H,17,21).
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide has a molecular weight of 283.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 46404551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).