4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one

C14H19N5O — CID 136979996

IUPAC4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCc1nn(-c2cc(=O)[nH]c(C3CC3)n2)c(CC)c1N
InChIInChI=1S/C14H19N5O/c1-3-9-13(15)10(4-2)19(18-9)11-7-12(20)17-14(16-11)8-5-6-8/h7-8H,3-6,15H2,1-2H3,(H,16,17,20)
InChIKeyZICPMRPXOLKTGU-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.54
Rot. Bonds4

About 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one

4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136979996) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136979996
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCCc1nn(-c2cc(=O)[nH]c(C3CC3)n2)c(CC)c1N
InChIInChI=1S/C14H19N5O/c1-3-9-13(15)10(4-2)19(18-9)11-7-12(20)17-14(16-11)8-5-6-8/h7-8H,3-6,15H2,1-2H3,(H,16,17,20)
InChIKeyZICPMRPXOLKTGU-UHFFFAOYSA-N
XLogP1.54
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one (CID 136979996) is 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one is CCc1nn(-c2cc(=O)[nH]c(C3CC3)n2)c(CC)c1N.
What is the InChIKey of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is ZICPMRPXOLKTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-9-13(15)10(4-2)19(18-9)11-7-12(20)17-14(16-11)8-5-6-8/h7-8H,3-6,15H2,1-2H3,(H,16,17,20).
What are the key properties of 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one?
4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 273.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-diethylpyrazol-1-yl)-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136979996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).