4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine

C14H18N4 — CID 126826956

IUPAC4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine
SMILESCCCn1nc(C)c(C=Cc2ccncn2)c1C
InChIInChI=1S/C14H18N4/c1-4-9-18-12(3)14(11(2)17-18)6-5-13-7-8-15-10-16-13/h5-8,10H,4,9H2,1-3H3
InChIKeyACJOFJIYAQFWBD-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.87
Rot. Bonds4

About 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine

4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine (PubChem CID 126826956) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine.

Molecular Properties

Compound Name4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine
PubChem CID126826956
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine
SMILESCCCn1nc(C)c(C=Cc2ccncn2)c1C
InChIInChI=1S/C14H18N4/c1-4-9-18-12(3)14(11(2)17-18)6-5-13-7-8-15-10-16-13/h5-8,10H,4,9H2,1-3H3
InChIKeyACJOFJIYAQFWBD-UHFFFAOYSA-N
XLogP2.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine?
The IUPAC name of 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine (CID 126826956) is 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine.
What is the SMILES notation for 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine?
The canonical SMILES for 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine is CCCn1nc(C)c(C=Cc2ccncn2)c1C.
What is the InChIKey of 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine?
The InChIKey is ACJOFJIYAQFWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-9-18-12(3)14(11(2)17-18)6-5-13-7-8-15-10-16-13/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine?
4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine has a molecular weight of 242.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethyl-1-propylpyrazol-4-yl)ethenyl]pyrimidine is sourced from PubChem (CID 126826956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).