[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C18H18FN5O — CID 95346124

IUPAC[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C18H18FN5O/c19-14-4-1-5-15(12-14)24-11-7-17(21-24)18(25)23-10-2-6-16(23)13-22-9-3-8-20-22/h1,3-5,7-9,11-12,16H,2,6,10,13H2/t16-/m0/s1
InChIKeyOEZQMEOTIYZCSA-INIZCTEOSA-N
MW339.37 g/mol
LogP2.51
Rot. Bonds4

About [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone

[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95346124) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95346124
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C18H18FN5O/c19-14-4-1-5-15(12-14)24-11-7-17(21-24)18(25)23-10-2-6-16(23)13-22-9-3-8-20-22/h1,3-5,7-9,11-12,16H,2,6,10,13H2/t16-/m0/s1
InChIKeyOEZQMEOTIYZCSA-INIZCTEOSA-N
XLogP2.51
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95339200
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(3-bromophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119634681
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
[2-(aminomethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119634575
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47847599
[1-(3-fluorophenyl)pyrazol-3-yl]-[4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 75395512
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95346124) is [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccn(-c2cccc(F)c2)n1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OEZQMEOTIYZCSA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-4-1-5-15(12-14)24-11-7-17(21-24)18(25)23-10-2-6-16(23)13-22-9-3-8-20-22/h1,3-5,7-9,11-12,16H,2,6,10,13H2/t16-/m0/s1.
What are the key properties of [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 339.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)pyrazol-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95346124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).