2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid

C19H25N3O3 — CID 119218316

IUPAC2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C19H25N3O3/c1-12(2)11-22-14(4)16(13(3)21-22)10-18(23)20-17-8-6-5-7-15(17)9-19(24)25/h5-8,12H,9-11H2,1-4H3,(H,20,23)(H,24,25)
InChIKeyYOMHEWUTNDOJIP-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.96
Rot. Bonds7

About 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid

2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid (PubChem CID 119218316) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
PubChem CID119218316
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C19H25N3O3/c1-12(2)11-22-14(4)16(13(3)21-22)10-18(23)20-17-8-6-5-7-15(17)9-19(24)25/h5-8,12H,9-11H2,1-4H3,(H,20,23)(H,24,25)
InChIKeyYOMHEWUTNDOJIP-UHFFFAOYSA-N
XLogP2.96
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439959
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 36838601
N-(2-cyclopentylsulfanylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 32559945
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 37245468
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35277586
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
CID 55466110
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55413192
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 119367917
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetamide
CID 40895953
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
N-(2,4-dimethoxyphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 17415208

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid (CID 119218316) is 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid is Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid?
The InChIKey is YOMHEWUTNDOJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(2)11-22-14(4)16(13(3)21-22)10-18(23)20-17-8-6-5-7-15(17)9-19(24)25/h5-8,12H,9-11H2,1-4H3,(H,20,23)(H,24,25).
What are the key properties of 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid?
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid has a molecular weight of 343.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).