[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

C19H17FN4O — CID 86980678

IUPAC[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccc(F)cc2)n1)N1CCCC1c1ccncc1
InChIInChI=1S/C19H17FN4O/c20-15-3-5-16(6-4-15)24-13-9-17(22-24)19(25)23-12-1-2-18(23)14-7-10-21-11-8-14/h3-11,13,18H,1-2,12H2
InChIKeyGLAGFVAAPSBBOS-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.38
Rot. Bonds3

About [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (PubChem CID 86980678) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
PubChem CID86980678
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccn(-c2ccc(F)cc2)n1)N1CCCC1c1ccncc1
InChIInChI=1S/C19H17FN4O/c20-15-3-5-16(6-4-15)24-13-9-17(22-24)19(25)23-12-1-2-18(23)14-7-10-21-11-8-14/h3-11,13,18H,1-2,12H2
InChIKeyGLAGFVAAPSBBOS-UHFFFAOYSA-N
XLogP3.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(1-pyridin-4-ylpyrazol-3-yl)methanone
CID 166233083
(2-pyridin-4-ylpyrrolidin-1-yl)-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24631475
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
(2-bromo-5-fluorophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60727625
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47847599
(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
CID 94336529
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355330
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
(1-cycloheptyltriazol-4-yl)-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42462335

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone (CID 86980678) is [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCCC1c1ccncc1.
What is the InChIKey of [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
The InChIKey is GLAGFVAAPSBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-3-5-16(6-4-15)24-13-9-17(22-24)19(25)23-12-1-2-18(23)14-7-10-21-11-8-14/h3-11,13,18H,1-2,12H2.
What are the key properties of [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone?
[1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone has a molecular weight of 336.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86980678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).