2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid

C17H21N3O3 — CID 120518043

IUPAC2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
SMILESCc1c(C(=O)NC(C(=O)O)c2ccccc2)cnn1CC(C)C
InChIInChI=1S/C17H21N3O3/c1-11(2)10-20-12(3)14(9-18-20)16(21)19-15(17(22)23)13-7-5-4-6-8-13/h4-9,11,15H,10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyGLBPPNKUABSBPS-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.40
Rot. Bonds6

About 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid

2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid (PubChem CID 120518043) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
PubChem CID120518043
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
SMILESCc1c(C(=O)NC(C(=O)O)c2ccccc2)cnn1CC(C)C
InChIInChI=1S/C17H21N3O3/c1-11(2)10-20-12(3)14(9-18-20)16(21)19-15(17(22)23)13-7-5-4-6-8-13/h4-9,11,15H,10H2,1-3H3,(H,19,21)(H,22,23)
InChIKeyGLBPPNKUABSBPS-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 120518942
(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
CID 97286145
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266
(2R)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 119367917
5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
CID 122143589
2-methyl-4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 120526226
N-(2-chloro-1-phenylethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 114300138
3-ethyl-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120532558
1-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120512739
N-[(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124850417
(2R)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 62828688
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid (CID 120518043) is 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid is Cc1c(C(=O)NC(C(=O)O)c2ccccc2)cnn1CC(C)C.
What is the InChIKey of 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is GLBPPNKUABSBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)10-20-12(3)14(9-18-20)16(21)19-15(17(22)23)13-7-5-4-6-8-13/h4-9,11,15H,10H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid?
2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 120518043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).