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

C21H19ClFN3O — CID 97014540

IUPAC[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C21H19ClFN3O/c22-18-9-2-1-8-17(18)19-13-20(25-24-19)21(27)26-10-4-7-16(26)12-14-5-3-6-15(23)11-14/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H,24,25)/t16-/m0/s1
InChIKeyCLKNTLAUWYTQBZ-INIZCTEOSA-N
MW383.85 g/mol
LogP4.72
Rot. Bonds4

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

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 97014540) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID97014540
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC Name[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C21H19ClFN3O/c22-18-9-2-1-8-17(18)19-13-20(25-24-19)21(27)26-10-4-7-16(26)12-14-5-3-6-15(23)11-14/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H,24,25)/t16-/m0/s1
InChIKeyCLKNTLAUWYTQBZ-INIZCTEOSA-N
XLogP4.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356183
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(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 95092319
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55956800
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
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2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
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[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 136515250
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70756992
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 55808202
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Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone (CID 97014540) is [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone is O=C(c1cc(-c2ccccc2Cl)n[nH]1)N1CCC[C@H]1Cc1cccc(F)c1.
What is the InChIKey of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is CLKNTLAUWYTQBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c22-18-9-2-1-8-17(18)19-13-20(25-24-19)21(27)26-10-4-7-16(26)12-14-5-3-6-15(23)11-14/h1-3,5-6,8-9,11,13,16H,4,7,10,12H2,(H,24,25)/t16-/m0/s1.
What are the key properties of [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone?
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 383.85 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97014540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).