3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

C22H21N5O — CID 55610931

IUPAC3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C22H21N5O/c28-22(11-10-19-15-24-27(17-19)21-8-2-1-3-9-21)25-20-7-4-6-18(14-20)16-26-13-5-12-23-26/h1-9,12-15,17H,10-11,16H2,(H,25,28)
InChIKeyGZMUVQOULJJGSC-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.69
Rot. Bonds7

About 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 55610931) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID55610931
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C22H21N5O/c28-22(11-10-19-15-24-27(17-19)21-8-2-1-3-9-21)25-20-7-4-6-18(14-20)16-26-13-5-12-23-26/h1-9,12-15,17H,10-11,16H2,(H,25,28)
InChIKeyGZMUVQOULJJGSC-UHFFFAOYSA-N
XLogP3.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 56508207
3-(1-phenylbenzimidazol-2-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 55632468
3-(1-phenylpyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 38033181
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55776558
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
N-[3-(methoxymethyl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 32639224
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 55610931) is 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is GZMUVQOULJJGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(11-10-19-15-24-27(17-19)21-8-2-1-3-9-21)25-20-7-4-6-18(14-20)16-26-13-5-12-23-26/h1-9,12-15,17H,10-11,16H2,(H,25,28).
What are the key properties of 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 371.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 55610931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).