[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

C18H20FN3O — CID 95590717

IUPAC[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C18H20FN3O/c1-21-11-13(10-20-21)15-9-16(15)18(23)22-8-2-3-17(22)12-4-6-14(19)7-5-12/h4-7,10-11,15-17H,2-3,8-9H2,1H3/t15-,16-,17+/m0/s1
InChIKeyWIBXGTDNGVUYGA-YESZJQIVSA-N
MW313.38 g/mol
LogP3.03
Rot. Bonds3

About [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (PubChem CID 95590717) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
PubChem CID95590717
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1
InChIInChI=1S/C18H20FN3O/c1-21-11-13(10-20-21)15-9-16(15)18(23)22-8-2-3-17(22)12-4-6-14(19)7-5-12/h4-7,10-11,15-17H,2-3,8-9H2,1H3/t15-,16-,17+/m0/s1
InChIKeyWIBXGTDNGVUYGA-YESZJQIVSA-N
XLogP3.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone with MolForge

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Related Compounds

[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129428018
[(1S,2R)-2-(3-methylphenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129427757
[2-(4-fluorophenyl)cyclopropyl]-[3-(1-methylpyrazol-4-yl)-1,1-dioxo-1,4-thiazinan-4-yl]methanone
CID 128991987
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120920591
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427750
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 129461313
[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 55889204
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124743790
(2R)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370609
1-[2-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119355577
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The IUPAC name of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (CID 95590717) is [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The InChIKey is WIBXGTDNGVUYGA-YESZJQIVSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21-11-13(10-20-21)15-9-16(15)18(23)22-8-2-3-17(22)12-4-6-14(19)7-5-12/h4-7,10-11,15-17H,2-3,8-9H2,1H3/t15-,16-,17+/m0/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone has a molecular weight of 313.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 95590717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).