2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide

C26H29ClN4O2 — CID 55760731

IUPAC2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)Nc3c(C)cccc3C(=O)N3CCCC3)c2C)cc1Cl
InChIInChI=1S/C26H29ClN4O2/c1-16-10-11-20(14-23(16)27)31-19(4)22(18(3)29-31)15-24(32)28-25-17(2)8-7-9-21(25)26(33)30-12-5-6-13-30/h7-11,14H,5-6,12-13,15H2,1-4H3,(H,28,32)
InChIKeyBFJWFTJLSIYRMP-UHFFFAOYSA-N
MW465.00 g/mol
LogP5.18
Rot. Bonds5

About 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 55760731) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID55760731
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)Nc3c(C)cccc3C(=O)N3CCCC3)c2C)cc1Cl
InChIInChI=1S/C26H29ClN4O2/c1-16-10-11-20(14-23(16)27)31-19(4)22(18(3)29-31)15-24(32)28-25-17(2)8-7-9-21(25)26(33)30-12-5-6-13-30/h7-11,14H,5-6,12-13,15H2,1-4H3,(H,28,32)
InChIKeyBFJWFTJLSIYRMP-UHFFFAOYSA-N
XLogP5.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.00
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
CID 56518026
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 55760915
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(1-cyanocyclopentyl)acetamide
CID 87017591
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56550904
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 86980040
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-pyridin-3-ylethyl)acetamide
CID 55823265
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 38977433
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 94563213
N-[2-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]ethyl]pyridine-3-carboxamide
CID 55765985
4-[4-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 55840677

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 55760731) is 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1ccc(-n2nc(C)c(CC(=O)Nc3c(C)cccc3C(=O)N3CCCC3)c2C)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is BFJWFTJLSIYRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-16-10-11-20(14-23(16)27)31-19(4)22(18(3)29-31)15-24(32)28-25-17(2)8-7-9-21(25)26(33)30-12-5-6-13-30/h7-11,14H,5-6,12-13,15H2,1-4H3,(H,28,32).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55760731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).