3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide

C19H26N4O2 — CID 51237592

IUPAC3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H26N4O2/c1-12(2)11-23-14(4)17(13(3)22-23)8-9-18(24)21-16-7-5-6-15(10-16)19(20)25/h5-7,10,12H,8-9,11H2,1-4H3,(H2,20,25)(H,21,24)
InChIKeyPCEIHQWXRLSRIJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.83
Rot. Bonds7

About 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide

3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide (PubChem CID 51237592) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide.

Molecular Properties

Compound Name3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
PubChem CID51237592
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C19H26N4O2/c1-12(2)11-23-14(4)17(13(3)22-23)8-9-18(24)21-16-7-5-6-15(10-16)19(20)25/h5-7,10,12H,8-9,11H2,1-4H3,(H2,20,25)(H,21,24)
InChIKeyPCEIHQWXRLSRIJ-UHFFFAOYSA-N
XLogP2.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 55749074
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507565
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 37055107
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-quinolin-3-ylpropanamide
CID 52553690
N-[3-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]phenyl]-4-methylbenzamide
CID 52702467
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)propanamide
CID 134050842
N-(5-amino-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide;hydrochloride
CID 120568461
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43021005

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide?
The IUPAC name of 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide (CID 51237592) is 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide.
What is the SMILES notation for 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide?
The canonical SMILES for 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide?
The InChIKey is PCEIHQWXRLSRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12(2)11-23-14(4)17(13(3)22-23)8-9-18(24)21-16-7-5-6-15(10-16)19(20)25/h5-7,10,12H,8-9,11H2,1-4H3,(H2,20,25)(H,21,24).
What are the key properties of 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide?
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide has a molecular weight of 342.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide is sourced from PubChem (CID 51237592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).