1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one

C18H21F2N5O — CID 141292506

IUPAC1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C18H21F2N5O/c19-13-3-4-15(20)14(12-13)16-2-1-8-24(16)17-5-6-22-25(17)11-10-23-9-7-21-18(23)26/h3-6,12,16H,1-2,7-11H2,(H,21,26)/t16-/m1/s1
InChIKeyGNFIVOXDMLGGJJ-MRXNPFEDSA-N
MW361.40 g/mol
LogP2.53
Rot. Bonds5

About 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one

1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one (PubChem CID 141292506) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one
PubChem CID141292506
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCn1nccc1N1CCC[C@@H]1c1cc(F)ccc1F
InChIInChI=1S/C18H21F2N5O/c19-13-3-4-15(20)14(12-13)16-2-1-8-24(16)17-5-6-22-25(17)11-10-23-9-7-21-18(23)26/h3-6,12,16H,1-2,7-11H2,(H,21,26)/t16-/m1/s1
InChIKeyGNFIVOXDMLGGJJ-MRXNPFEDSA-N
XLogP2.53
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]methyl]-1-methylpyrazole
CID 175200240
1-cyclopropylsulfonyl-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazole
CID 141369872
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
CID 123702425
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1-(2-methylphenyl)sulfonylpyrazole
CID 122516474
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
8-chloro-2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-1,5-naphthyridine
CID 146611650
1-[2-(2,5-difluoroanilino)ethyl]imidazolidin-2-one
CID 28574585
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;oxaldehydic acid
CID 158601658
2-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-nitro-1H-pyrrole
CID 174941019
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine;formamide
CID 118104850
2-(2,5-difluorophenyl)-1-methylazetidine
CID 68991011
6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144985682

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one (CID 141292506) is 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one is O=C1NCCN1CCn1nccc1N1CCC[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is GNFIVOXDMLGGJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21F2N5O/c19-13-3-4-15(20)14(12-13)16-2-1-8-24(16)17-5-6-22-25(17)11-10-23-9-7-21-18(23)26/h3-6,12,16H,1-2,7-11H2,(H,21,26)/t16-/m1/s1.
What are the key properties of 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one?
1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 361.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 141292506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).