N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C18H23FN4O — CID 95570795

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cc([C@@H]2CCCN2CC(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H23FN4O/c1-22-12-15(11-21-22)17-3-2-10-23(17)13-18(24)20-9-8-14-4-6-16(19)7-5-14/h4-7,11-12,17H,2-3,8-10,13H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyZEUYUVIOGUVYEV-KRWDZBQOSA-N
MW330.41 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 95570795) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID95570795
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cc([C@@H]2CCCN2CC(=O)NCCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H23FN4O/c1-22-12-15(11-21-22)17-3-2-10-23(17)13-18(24)20-9-8-14-4-6-16(19)7-5-14/h4-7,11-12,17H,2-3,8-10,13H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyZEUYUVIOGUVYEV-KRWDZBQOSA-N
XLogP2.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
N-(dicyclopropylmethyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95318433
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 75841412
N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95348862
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 51339447
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95569857
N-[(R)-cyclopropyl(phenyl)methyl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569803

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 95570795) is N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cn1cc([C@@H]2CCCN2CC(=O)NCCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZEUYUVIOGUVYEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-22-12-15(11-21-22)17-3-2-10-23(17)13-18(24)20-9-8-14-4-6-16(19)7-5-14/h4-7,11-12,17H,2-3,8-10,13H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95570795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).