2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

C17H23N5O3 — CID 135885878

IUPAC2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCOCC3)c2C)n1
InChIInChI=1S/C17H23N5O3/c1-11-10-15(23)19-17(18-11)22-13(3)14(12(2)20-22)4-5-16(24)21-6-8-25-9-7-21/h10H,4-9H2,1-3H3,(H,18,19,23)
InChIKeyUZJCYWHYGXNRGJ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.67
Rot. Bonds4

About 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135885878) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135885878
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCOCC3)c2C)n1
InChIInChI=1S/C17H23N5O3/c1-11-10-15(23)19-17(18-11)22-13(3)14(12(2)20-22)4-5-16(24)21-6-8-25-9-7-21/h10H,4-9H2,1-3H3,(H,18,19,23)
InChIKeyUZJCYWHYGXNRGJ-UHFFFAOYSA-N
XLogP0.67
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 135885878) is 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-n2nc(C)c(CCC(=O)N3CCOCC3)c2C)n1.
What is the InChIKey of 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is UZJCYWHYGXNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-10-15(23)19-17(18-11)22-13(3)14(12(2)20-22)4-5-16(24)21-6-8-25-9-7-21/h10H,4-9H2,1-3H3,(H,18,19,23).
What are the key properties of 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 345.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135885878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).