(2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone

C21H24FN5O — CID 164630253

IUPAC(2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC[C@H]1c1ncc(C)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN5O/c1-3-27-19(10-11-24-27)21(28)25-12-4-5-18(25)20-23-13-15(2)26(20)14-16-6-8-17(22)9-7-16/h6-11,13,18H,3-5,12,14H2,1-2H3/t18-/m0/s1
InChIKeyRHAIJGAPHRYEPM-SFHVURJKSA-N
MW381.46 g/mol
LogP3.57
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 164630253) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID164630253
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name(2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC[C@H]1c1ncc(C)n1Cc1ccc(F)cc1
InChIInChI=1S/C21H24FN5O/c1-3-27-19(10-11-24-27)21(28)25-12-4-5-18(25)20-23-13-15(2)26(20)14-16-6-8-17(22)9-7-16/h6-11,13,18H,3-5,12,14H2,1-2H3/t18-/m0/s1
InChIKeyRHAIJGAPHRYEPM-SFHVURJKSA-N
XLogP3.57
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone (CID 164630253) is (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC[C@H]1c1ncc(C)n1Cc1ccc(F)cc1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is RHAIJGAPHRYEPM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-3-27-19(10-11-24-27)21(28)25-12-4-5-18(25)20-23-13-15(2)26(20)14-16-6-8-17(22)9-7-16/h6-11,13,18H,3-5,12,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 381.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 164630253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).