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

C24H25FN4O3 — CID 92634704

IUPAC2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCOc1ccc([C@H]2CCCN2C(=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)/t22-/m1/s1
InChIKeyUTFOSLSKNSHUQS-JOCHJYFZSA-N
MW436.49 g/mol
LogP3.58
Rot. Bonds7

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

2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 92634704) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID92634704
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCOc1ccc([C@H]2CCCN2C(=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)/t22-/m1/s1
InChIKeyUTFOSLSKNSHUQS-JOCHJYFZSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (CID 92634704) is 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is COc1ccc([C@H]2CCCN2C(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is UTFOSLSKNSHUQS-JOCHJYFZSA-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)/t22-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[1-[2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(2-fluorophenyl)-N-[1-[2-[(2R)-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-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 92634704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).