1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

C16H20N4 — CID 659419

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1
InChIInChI=1S/C16H20N4/c1-9(2)13-7-14-12(5)19-20(15(14)8-13)16-17-10(3)6-11(4)18-16/h6,13H,1,7-8H2,2-5H3
InChIKeySKSMAIWXKKFOMN-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.88
Rot. Bonds2

About 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole

1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (PubChem CID 659419) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
PubChem CID659419
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
SMILESC=C(C)C1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1
InChIInChI=1S/C16H20N4/c1-9(2)13-7-14-12(5)19-20(15(14)8-13)16-17-10(3)6-11(4)18-16/h6,13H,1,7-8H2,2-5H3
InChIKeySKSMAIWXKKFOMN-UHFFFAOYSA-N
XLogP2.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
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 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole (CID 659419) is 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is C=C(C)C1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
The InChIKey is SKSMAIWXKKFOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-9(2)13-7-14-12(5)19-20(15(14)8-13)16-17-10(3)6-11(4)18-16/h6,13H,1,7-8H2,2-5H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole?
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole has a molecular weight of 268.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole is sourced from PubChem (CID 659419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).