4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C11H12N4O — CID 135975402

IUPAC4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2nc(C3CC3)cc(=O)[nH]2)cn1
InChIInChI=1S/C11H12N4O/c1-15-6-8(5-12-15)11-13-9(7-2-3-7)4-10(16)14-11/h4-7H,2-3H2,1H3,(H,13,14,16)
InChIKeyPACHIALDVZRZPH-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.05
Rot. Bonds2

About 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 135975402) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID135975402
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2nc(C3CC3)cc(=O)[nH]2)cn1
InChIInChI=1S/C11H12N4O/c1-15-6-8(5-12-15)11-13-9(7-2-3-7)4-10(16)14-11/h4-7H,2-3H2,1H3,(H,13,14,16)
InChIKeyPACHIALDVZRZPH-UHFFFAOYSA-N
XLogP1.05
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-(3,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 135975393
4-cyclopropyl-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 135975410
2-(4-bromo-3,5-dimethylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136986877
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136701864
2-(3-bromo-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771732
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
CID 136774590
2-(3-ethylcyclohexyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771667
2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771836
2-[amino(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980837
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 135975402) is 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2nc(C3CC3)cc(=O)[nH]2)cn1.
What is the InChIKey of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is PACHIALDVZRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-6-8(5-12-15)11-13-9(7-2-3-7)4-10(16)14-11/h4-7H,2-3H2,1H3,(H,13,14,16).
What are the key properties of 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135975402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).