3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide

C22H24N4O — CID 35359122

IUPAC3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C22H24N4O/c27-22(24-20-10-4-5-11-21(20)25-14-6-7-15-25)13-12-18-16-23-26(17-18)19-8-2-1-3-9-19/h1-5,8-11,16-17H,6-7,12-15H2,(H,24,27)
InChIKeyITSAQWPAFMFDGU-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.04
Rot. Bonds6

About 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide

3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 35359122) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
PubChem CID35359122
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C22H24N4O/c27-22(24-20-10-4-5-11-21(20)25-14-6-7-15-25)13-12-18-16-23-26(17-18)19-8-2-1-3-9-19/h1-5,8-11,16-17H,6-7,12-15H2,(H,24,27)
InChIKeyITSAQWPAFMFDGU-UHFFFAOYSA-N
XLogP4.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 38283400
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
3-pyridin-3-yl-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 30583465
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-(2-methylpropyl)-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]benzamide
CID 34733192
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 134030127
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55610031
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30752050
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55736251

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide (CID 35359122) is 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is ITSAQWPAFMFDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(24-20-10-4-5-11-21(20)25-14-6-7-15-25)13-12-18-16-23-26(17-18)19-8-2-1-3-9-19/h1-5,8-11,16-17H,6-7,12-15H2,(H,24,27).
What are the key properties of 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 360.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 35359122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).