(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C19H17FN4O — CID 92568441

IUPAC(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@H]1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C19H17FN4O/c20-15-4-1-3-14(11-15)19(25)24-10-2-5-17(24)18-16(12-22-23-18)13-6-8-21-9-7-13/h1,3-4,6-9,11-12,17H,2,5,10H2,(H,22,23)/t17-/m0/s1
InChIKeyVXUCNMXQUXZOGG-KRWDZBQOSA-N
MW336.37 g/mol
LogP3.59
Rot. Bonds3

About (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 92568441) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID92568441
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC[C@H]1c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C19H17FN4O/c20-15-4-1-3-14(11-15)19(25)24-10-2-5-17(24)18-16(12-22-23-18)13-6-8-21-9-7-13/h1,3-4,6-9,11-12,17H,2,5,10H2,(H,22,23)/t17-/m0/s1
InChIKeyVXUCNMXQUXZOGG-KRWDZBQOSA-N
XLogP3.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethoxyphenyl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224881
(4-chlorophenyl)-[(2S)-2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95816601
(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95840145
cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92611267
(2,3-dimethoxyphenyl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92600642
(5-tert-butyl-1H-pyrazol-3-yl)-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110224835
(3-ethylimidazol-4-yl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 92604652
2-(2-fluorophenyl)-1-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92572498
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
[3-(imidazol-1-ylmethyl)phenyl]-[(2R)-2-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 129457542
(5-ethyl-2,4-dimethylpyrazol-3-yl)-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 92568441) is (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCC[C@H]1c1[nH]ncc1-c1ccncc1.
What is the InChIKey of (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is VXUCNMXQUXZOGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-4-1-3-14(11-15)19(25)24-10-2-5-17(24)18-16(12-22-23-18)13-6-8-21-9-7-13/h1,3-4,6-9,11-12,17H,2,5,10H2,(H,22,23)/t17-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 336.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(2S)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92568441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).