2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one

C19H21N5O — CID 66504378

IUPAC2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
SMILESCc1nc(N2CCCC2)ncc1-c1cc(=O)n(Cc2ccccc2)[nH]1
InChIInChI=1S/C19H21N5O/c1-14-16(12-20-19(21-14)23-9-5-6-10-23)17-11-18(25)24(22-17)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,22H,5-6,9-10,13H2,1H3
InChIKeyPRGPRMIRKFKUCL-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.59
Rot. Bonds4

About 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one

2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one (PubChem CID 66504378) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
PubChem CID66504378
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
SMILESCc1nc(N2CCCC2)ncc1-c1cc(=O)n(Cc2ccccc2)[nH]1
InChIInChI=1S/C19H21N5O/c1-14-16(12-20-19(21-14)23-9-5-6-10-23)17-11-18(25)24(22-17)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,22H,5-6,9-10,13H2,1H3
InChIKeyPRGPRMIRKFKUCL-UHFFFAOYSA-N
XLogP2.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504353
2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504423
5-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenyl-1H-pyrazol-3-one
CID 66504379
2-(4-chloro-2-fluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504416
2-(3,5-difluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504404
4-methyl-5-phenyl-2-pyrrolidin-1-ylpyrimidine
CID 171989063
5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 66504220
4-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135649679
5-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one
CID 66504431
2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504653
2-(4-chlorophenyl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504213
2-(1H-benzimidazol-2-yl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504229

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one (CID 66504378) is 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one is Cc1nc(N2CCCC2)ncc1-c1cc(=O)n(Cc2ccccc2)[nH]1.
What is the InChIKey of 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The InChIKey is PRGPRMIRKFKUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-16(12-20-19(21-14)23-9-5-6-10-23)17-11-18(25)24(22-17)13-15-7-3-2-4-8-15/h2-4,7-8,11-12,22H,5-6,9-10,13H2,1H3.
What are the key properties of 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one has a molecular weight of 335.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 66504378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).