2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide

C24H25FN4O3 — CID 110248577

IUPAC2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCOc1ccc(C2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)cc1
InChIInChI=1S/C24H25FN4O3/c1-32-20-10-8-17(9-11-20)22-7-4-12-29(22)24(31)16-28-15-19(14-26-28)27-23(30)13-18-5-2-3-6-21(18)25/h2-3,5-6,8-11,14-15,22H,4,7,12-13,16H2,1H3,(H,27,30)
InChIKeyUTFOSLSKNSHUQS-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide

2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 110248577) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID110248577
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCOc1ccc(C2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)cc1
InChIInChI=1S/C24H25FN4O3/c1-32-20-10-8-17(9-11-20)22-7-4-12-29(22)24(31)16-28-15-19(14-26-28)27-23(30)13-18-5-2-3-6-21(18)25/h2-3,5-6,8-11,14-15,22H,4,7,12-13,16H2,1H3,(H,27,30)
InChIKeyUTFOSLSKNSHUQS-UHFFFAOYSA-N
XLogP3.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 94589837
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131115
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131116
2-(2-fluorophenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569592
2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 92635036
2-(4-methoxyphenyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 136511992
2-anilino-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 119687297
4-(2-fluorophenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]butan-1-one
CID 60554330
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079
N-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-2-phenylacetamide
CID 42920541

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (CID 110248577) is 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is COc1ccc(C2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is UTFOSLSKNSHUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-32-20-10-8-17(9-11-20)22-7-4-12-29(22)24(31)16-28-15-19(14-26-28)27-23(30)13-18-5-2-3-6-21(18)25/h2-3,5-6,8-11,14-15,22H,4,7,12-13,16H2,1H3,(H,27,30).
What are the key properties of 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 436.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 110248577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).