4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide

C22H20N4O — CID 46427634

IUPAC4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cn2cccn2)cc1-n1cccc1
InChIInChI=1S/C22H20N4O/c1-17-9-10-18(15-21(17)25-12-4-5-13-25)22(27)24-20-8-3-2-7-19(20)16-26-14-6-11-23-26/h2-15H,16H2,1H3,(H,24,27)
InChIKeyGPPNHNGDEQDRKR-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.28
Rot. Bonds5

About 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide

4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide (PubChem CID 46427634) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
PubChem CID46427634
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2Cn2cccn2)cc1-n1cccc1
InChIInChI=1S/C22H20N4O/c1-17-9-10-18(15-21(17)25-12-4-5-13-25)22(27)24-20-8-3-2-7-19(20)16-26-14-6-11-23-26/h2-15H,16H2,1H3,(H,24,27)
InChIKeyGPPNHNGDEQDRKR-UHFFFAOYSA-N
XLogP4.28
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55674283
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
4-methyl-N-[2-(morpholin-4-ylmethyl)phenyl]-3-pyrazol-1-ylbenzamide
CID 46968974
4-bromo-3-(dimethylsulfamoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55642916
ethyl 3-nitro-5-[[2-(pyrazol-1-ylmethyl)phenyl]carbamoyl]benzoate
CID 43068785
N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 30138754
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46427584
2-(butan-2-ylamino)-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 60852301
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55934058
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3-hydroxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43600945
4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370773

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide (CID 46427634) is 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)Nc2ccccc2Cn2cccn2)cc1-n1cccc1.
What is the InChIKey of 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is GPPNHNGDEQDRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-17-9-10-18(15-21(17)25-12-4-5-13-25)22(27)24-20-8-3-2-7-19(20)16-26-14-6-11-23-26/h2-15H,16H2,1H3,(H,24,27).
What are the key properties of 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide?
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 46427634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).