2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one

C18H24N4O — CID 136551703

IUPAC2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C(=Cc2c(C3CC3)cnn2C)CC)n1
InChIInChI=1S/C18H24N4O/c1-4-6-14-10-17(23)21-18(20-14)12(5-2)9-16-15(13-7-8-13)11-19-22(16)3/h9-11,13H,4-8H2,1-3H3,(H,20,21,23)
InChIKeyGINBTVLQRNKZHO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.28
Rot. Bonds6

About 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one

2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 136551703) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one
PubChem CID136551703
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C(=Cc2c(C3CC3)cnn2C)CC)n1
InChIInChI=1S/C18H24N4O/c1-4-6-14-10-17(23)21-18(20-14)12(5-2)9-16-15(13-7-8-13)11-19-22(16)3/h9-11,13H,4-8H2,1-3H3,(H,20,21,23)
InChIKeyGINBTVLQRNKZHO-UHFFFAOYSA-N
XLogP3.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one (CID 136551703) is 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(C(=Cc2c(C3CC3)cnn2C)CC)n1.
What is the InChIKey of 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is GINBTVLQRNKZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-6-14-10-17(23)21-18(20-14)12(5-2)9-16-15(13-7-8-13)11-19-22(16)3/h9-11,13H,4-8H2,1-3H3,(H,20,21,23).
What are the key properties of 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one?
2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 312.42 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclopropyl-1-methylpyrazol-5-yl)but-1-en-2-yl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136551703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).