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

C19H21N5O2 — CID 66504423

IUPAC2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
SMILESCOc1ccccc1-n1[nH]c(-c2cnc(N3CCCC3)nc2C)cc1=O
InChIInChI=1S/C19H21N5O2/c1-13-14(12-20-19(21-13)23-9-5-6-10-23)15-11-18(25)24(22-15)16-7-3-4-8-17(16)26-2/h3-4,7-8,11-12,22H,5-6,9-10H2,1-2H3
InChIKeyZHCKGPYSLVJBKF-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.54
Rot. Bonds4

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

2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one (PubChem CID 66504423) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
PubChem CID66504423
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
SMILESCOc1ccccc1-n1[nH]c(-c2cnc(N3CCCC3)nc2C)cc1=O
InChIInChI=1S/C19H21N5O2/c1-13-14(12-20-19(21-13)23-9-5-6-10-23)15-11-18(25)24(22-15)16-7-3-4-8-17(16)26-2/h3-4,7-8,11-12,22H,5-6,9-10H2,1-2H3
InChIKeyZHCKGPYSLVJBKF-UHFFFAOYSA-N
XLogP2.54
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one (CID 66504423) is 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one is COc1ccccc1-n1[nH]c(-c2cnc(N3CCCC3)nc2C)cc1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The InChIKey is ZHCKGPYSLVJBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13-14(12-20-19(21-13)23-9-5-6-10-23)15-11-18(25)24(22-15)16-7-3-4-8-17(16)26-2/h3-4,7-8,11-12,22H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one has a molecular weight of 351.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 66504423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).