[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C17H18FN3O — CID 125003153

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@@H](c2ccn[nH]2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O/c18-14-4-2-1-3-13(14)17(7-8-17)16(22)21-10-6-12(11-21)15-5-9-19-20-15/h1-5,9,12H,6-8,10-11H2,(H,19,20)/t12-/m1/s1
InChIKeySPOWAVJAOJRJKQ-GFCCVEGCSA-N
MW299.35 g/mol
LogP2.60
Rot. Bonds3

About [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 125003153) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID125003153
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(N1CC[C@@H](c2ccn[nH]2)C1)C1(c2ccccc2F)CC1
InChIInChI=1S/C17H18FN3O/c18-14-4-2-1-3-13(14)17(7-8-17)16(22)21-10-6-12(11-21)15-5-9-19-20-15/h1-5,9,12H,6-8,10-11H2,(H,19,20)/t12-/m1/s1
InChIKeySPOWAVJAOJRJKQ-GFCCVEGCSA-N
XLogP2.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124991616
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124981202
[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 146121846
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
(4aS,7aS)-6-[1-(2-fluorophenyl)cyclopropanecarbonyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-b][1,4]oxazin-3-one
CID 110139941
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 125003153) is [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(N1CC[C@@H](c2ccn[nH]2)C1)C1(c2ccccc2F)CC1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SPOWAVJAOJRJKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-14-4-2-1-3-13(14)17(7-8-17)16(22)21-10-6-12(11-21)15-5-9-19-20-15/h1-5,9,12H,6-8,10-11H2,(H,19,20)/t12-/m1/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 299.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 125003153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).