2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one

C19H21N5O — CID 137209522

IUPAC2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2Cc2cnn3c2CCC3)nc2ccccc12
InChIInChI=1S/C19H21N5O/c25-19-14-5-1-2-6-15(14)21-18(22-19)17-8-3-9-23(17)12-13-11-20-24-10-4-7-16(13)24/h1-2,5-6,11,17H,3-4,7-10,12H2,(H,21,22,25)
InChIKeyGYAOAEISOWSJCY-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.40
Rot. Bonds3

About 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one

2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one (PubChem CID 137209522) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
PubChem CID137209522
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CCCN2Cc2cnn3c2CCC3)nc2ccccc12
InChIInChI=1S/C19H21N5O/c25-19-14-5-1-2-6-15(14)21-18(22-19)17-8-3-9-23(17)12-13-11-20-24-10-4-7-16(13)24/h1-2,5-6,11,17H,3-4,7-10,12H2,(H,21,22,25)
InChIKeyGYAOAEISOWSJCY-UHFFFAOYSA-N
XLogP2.40
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209523
2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209529
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950890
2-[1-(1,2,5-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209566
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950528
2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209538
2-[1-[(2-methoxypyrimidin-4-yl)methyl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209551
4-[2-[2-(4-oxo-3H-quinazolin-2-yl)pyrrolidin-1-yl]ethyl]-1,4-oxazepan-5-one
CID 137209624
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209653
2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209487

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one (CID 137209522) is 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one is O=c1[nH]c(C2CCCN2Cc2cnn3c2CCC3)nc2ccccc12.
What is the InChIKey of 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
The InChIKey is GYAOAEISOWSJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c25-19-14-5-1-2-6-15(14)21-18(22-19)17-8-3-9-23(17)12-13-11-20-24-10-4-7-16(13)24/h1-2,5-6,11,17H,3-4,7-10,12H2,(H,21,22,25).
What are the key properties of 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one?
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one has a molecular weight of 335.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)pyrrolidin-2-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137209522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).