4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one

C23H23N5O — CID 169018013

IUPAC4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C23H23N5O/c1-3-20-14-22(29)26-23(25-20)28-21(12-16(2)27-28)24-15-17-8-7-11-19(13-17)18-9-5-4-6-10-18/h4-14,24H,3,15H2,1-2H3,(H,25,26,29)
InChIKeyJUSVUECJDKVYHR-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.11
Rot. Bonds6

About 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one

4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 169018013) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID169018013
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C23H23N5O/c1-3-20-14-22(29)26-23(25-20)28-21(12-16(2)27-28)24-15-17-8-7-11-19(13-17)18-9-5-4-6-10-18/h4-14,24H,3,15H2,1-2H3,(H,25,26,29)
InChIKeyJUSVUECJDKVYHR-UHFFFAOYSA-N
XLogP4.11
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.11
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-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one (CID 169018013) is 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2NCc2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is JUSVUECJDKVYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-20-14-22(29)26-23(25-20)28-21(12-16(2)27-28)24-15-17-8-7-11-19(13-17)18-9-5-4-6-10-18/h4-14,24H,3,15H2,1-2H3,(H,25,26,29).
What are the key properties of 4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[3-methyl-5-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 385.47 g/mol, XLogP of 4.11, 6 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-[(3-phenylphenyl)methylamino]pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 169018013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).