3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid

C16H19N3O3 — CID 119219015

IUPAC3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
SMILESCc1cc(C(=O)NC(c2ccccc2)C(C)C(=O)O)nn1C
InChIInChI=1S/C16H19N3O3/c1-10-9-13(18-19(10)3)15(20)17-14(11(2)16(21)22)12-7-5-4-6-8-12/h4-9,11,14H,1-3H3,(H,17,20)(H,21,22)
InChIKeyQQESMVRKHPURIA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds5

About 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid

3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid (PubChem CID 119219015) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
PubChem CID119219015
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
SMILESCc1cc(C(=O)NC(c2ccccc2)C(C)C(=O)O)nn1C
InChIInChI=1S/C16H19N3O3/c1-10-9-13(18-19(10)3)15(20)17-14(11(2)16(21)22)12-7-5-4-6-8-12/h4-9,11,14H,1-3H3,(H,17,20)(H,21,22)
InChIKeyQQESMVRKHPURIA-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
CID 75767454
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
2-methyl-3-[(4-methyl-1H-pyrrole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119219025
N-(1-bromopropan-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 130485661
N-(2-amino-2-phenylethyl)-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119528413
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218690
1,5-dimethyl-N-[1-(4-methylphenyl)propyl]pyrazole-3-carboxamide
CID 19279641
2-methyl-3-phenyl-3-(2-phenylpropanoylamino)propanoic acid
CID 120686881
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46105004
1,5-dimethyl-N-(phenylcarbamothioyl)pyrazole-3-carboxamide
CID 174530677

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid (CID 119219015) is 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid is Cc1cc(C(=O)NC(c2ccccc2)C(C)C(=O)O)nn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
The InChIKey is QQESMVRKHPURIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-9-13(18-19(10)3)15(20)17-14(11(2)16(21)22)12-7-5-4-6-8-12/h4-9,11,14H,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid?
3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid has a molecular weight of 301.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazole-3-carbonyl)amino]-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 119219015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).