2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one

C21H25N5O2 — CID 126950986

IUPAC2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2Cc2cn[nH]c2C2CC2)n1CCO
InChIInChI=1S/C21H25N5O2/c27-11-10-26-20(23-17-5-2-1-4-16(17)21(26)28)18-6-3-9-25(18)13-15-12-22-24-19(15)14-7-8-14/h1-2,4-5,12,14,18,27H,3,6-11,13H2,(H,22,24)
InChIKeyWHYQYKBMUXVECY-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.33
Rot. Bonds6

About 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one

2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one (PubChem CID 126950986) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
PubChem CID126950986
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(C2CCCN2Cc2cn[nH]c2C2CC2)n1CCO
InChIInChI=1S/C21H25N5O2/c27-11-10-26-20(23-17-5-2-1-4-16(17)21(26)28)18-6-3-9-25(18)13-15-12-22-24-19(15)14-7-8-14/h1-2,4-5,12,14,18,27H,3,6-11,13H2,(H,22,24)
InChIKeyWHYQYKBMUXVECY-UHFFFAOYSA-N
XLogP2.33
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one with MolForge

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Related Compounds

2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950890
3-(2-hydroxyethyl)-2-[1-[(1-methyl-6-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950898
3-(2-hydroxyethyl)-2-[1-(2-methoxyethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950815
2-[1-(6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazol-3-ylmethyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950967
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
3-(2-hydroxyethyl)-2-[1-(5-methylpyrimidin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951022
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
3-(2-hydroxyethyl)-2-[1-[2-(1H-indol-3-yl)acetyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950734
3-(2-hydroxyethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950879
2-[1-[(2-cyclopropylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950554
3-(2-hydroxyethyl)-2-(1-morpholin-4-ylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126950782

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The IUPAC name of 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one (CID 126950986) is 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one.
What is the SMILES notation for 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The canonical SMILES for 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one is O=c1c2ccccc2nc(C2CCCN2Cc2cn[nH]c2C2CC2)n1CCO.
What is the InChIKey of 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
The InChIKey is WHYQYKBMUXVECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-11-10-26-20(23-17-5-2-1-4-16(17)21(26)28)18-6-3-9-25(18)13-15-12-22-24-19(15)14-7-8-14/h1-2,4-5,12,14,18,27H,3,6-11,13H2,(H,22,24).
What are the key properties of 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one?
2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one has a molecular weight of 379.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one is sourced from PubChem (CID 126950986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).