2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

C22H22N4O2 — CID 46535527

IUPAC2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(14-17-15-23-26(16-17)20-6-2-1-3-7-20)24-19-10-8-18(9-11-19)22(28)25-12-4-5-13-25/h1-3,6-11,15-16H,4-5,12-14H2,(H,24,27)
InChIKeyIAOMHYSQGHNCAD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.29
Rot. Bonds5

About 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 46535527) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID46535527
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C22H22N4O2/c27-21(14-17-15-23-26(16-17)20-6-2-1-3-7-20)24-19-10-8-18(9-11-19)22(28)25-12-4-5-13-25/h1-3,6-11,15-16H,4-5,12-14H2,(H,24,27)
InChIKeyIAOMHYSQGHNCAD-UHFFFAOYSA-N
XLogP3.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
(E)-3-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 46535526
N-[3-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 154850005
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 38283400
N-[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46666185
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
2-(1-phenylpyrazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38359488
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32934582
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 46535527) is 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is IAOMHYSQGHNCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(14-17-15-23-26(16-17)20-6-2-1-3-7-20)24-19-10-8-18(9-11-19)22(28)25-12-4-5-13-25/h1-3,6-11,15-16H,4-5,12-14H2,(H,24,27).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 46535527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).