(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone

C15H15ClFN3O — CID 51856497

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C15H15ClFN3O/c1-19-14(11(16)9-18-19)15(21)20-8-4-7-13(20)10-5-2-3-6-12(10)17/h2-3,5-6,9,13H,4,7-8H2,1H3/t13-/m1/s1
InChIKeyRFDYOPBRHCJUOK-CYBMUJFWSA-N
MW307.76 g/mol
LogP3.19
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 51856497) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID51856497
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCn1ncc(Cl)c1C(=O)N1CCC[C@@H]1c1ccccc1F
InChIInChI=1S/C15H15ClFN3O/c1-19-14(11(16)9-18-19)15(21)20-8-4-7-13(20)10-5-2-3-6-12(10)17/h2-3,5-6,9,13H,4,7-8H2,1H3/t13-/m1/s1
InChIKeyRFDYOPBRHCJUOK-CYBMUJFWSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 50747396
2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 51855627
[(2R)-2-(1,5-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 99630098
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
[(3aS,7aS)-1-(4-fluorophenyl)-2,2-dimethyl-3,3a,5,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-4-yl]-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 155999258
(4-chloro-1-ethylpyrazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747033
(6-bromopyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 51548435
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]-[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 51856413
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-chloro-3-pyridinyl)methanone
CID 81228562
(3-amino-1H-pyrazol-5-yl)-[2-(2-chlorophenyl)pyrrolidin-1-yl]methanone
CID 64524062
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 51856497) is (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is Cn1ncc(Cl)c1C(=O)N1CCC[C@@H]1c1ccccc1F.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is RFDYOPBRHCJUOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-19-14(11(16)9-18-19)15(21)20-8-4-7-13(20)10-5-2-3-6-12(10)17/h2-3,5-6,9,13H,4,7-8H2,1H3/t13-/m1/s1.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 307.76 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51856497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).