[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

C20H26FN3O — CID 70779113

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-4-24-19(13-17(22-24)12-14(2)3)20(25)23-11-5-6-18(23)15-7-9-16(21)10-8-15/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyGGSSTRZHJFKKJX-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.22
Rot. Bonds5

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 70779113) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID70779113
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O/c1-4-24-19(13-17(22-24)12-14(2)3)20(25)23-11-5-6-18(23)15-7-9-16(21)10-8-15/h7-10,13-14,18H,4-6,11-12H2,1-3H3
InChIKeyGGSSTRZHJFKKJX-UHFFFAOYSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747033
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 157016753
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110120843
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247275
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56755087
(2S)-N-cyclopropyl-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazine-2-carboxamide
CID 95722133

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 70779113) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is GGSSTRZHJFKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-4-24-19(13-17(22-24)12-14(2)3)20(25)23-11-5-6-18(23)15-7-9-16(21)10-8-15/h7-10,13-14,18H,4-6,11-12H2,1-3H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 343.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70779113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).