4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one

C22H23N5O — CID 169018050

IUPAC4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2N[C@H](C)c2cccc3ccccc23)n1
InChIInChI=1S/C22H23N5O/c1-4-17-13-21(28)25-22(24-17)27-20(12-14(2)26-27)23-15(3)18-11-7-9-16-8-5-6-10-19(16)18/h5-13,15,23H,4H2,1-3H3,(H,24,25,28)/t15-/m1/s1
InChIKeyLEXWUUWYVRPQER-OAHLLOKOSA-N
MW373.46 g/mol
LogP4.15
Rot. Bonds5

About 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one

4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 169018050) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID169018050
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2N[C@H](C)c2cccc3ccccc23)n1
InChIInChI=1S/C22H23N5O/c1-4-17-13-21(28)25-22(24-17)27-20(12-14(2)26-27)23-15(3)18-11-7-9-16-8-5-6-10-19(16)18/h5-13,15,23H,4H2,1-3H3,(H,24,25,28)/t15-/m1/s1
InChIKeyLEXWUUWYVRPQER-OAHLLOKOSA-N
XLogP4.15
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one (CID 169018050) is 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2N[C@H](C)c2cccc3ccccc23)n1.
What is the InChIKey of 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is LEXWUUWYVRPQER-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O/c1-4-17-13-21(28)25-22(24-17)27-20(12-14(2)26-27)23-15(3)18-11-7-9-16-8-5-6-10-19(16)18/h5-13,15,23H,4H2,1-3H3,(H,24,25,28)/t15-/m1/s1.
What are the key properties of 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 373.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-methyl-5-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169018050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).