2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid

C17H19N3O4 — CID 120521108

IUPAC2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(-n2nc(C(=O)NC(C(=O)O)C3CC3)cc2C)cc1
InChIInChI=1S/C17H19N3O4/c1-10-9-14(16(21)18-15(17(22)23)11-3-4-11)19-20(10)12-5-7-13(24-2)8-6-12/h5-9,11,15H,3-4H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyWBRNTTSBDZLWKR-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.78
Rot. Bonds6

About 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid

2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid (PubChem CID 120521108) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
PubChem CID120521108
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid
SMILESCOc1ccc(-n2nc(C(=O)NC(C(=O)O)C3CC3)cc2C)cc1
InChIInChI=1S/C17H19N3O4/c1-10-9-14(16(21)18-15(17(22)23)11-3-4-11)19-20(10)12-5-7-13(24-2)8-6-12/h5-9,11,15H,3-4H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyWBRNTTSBDZLWKR-UHFFFAOYSA-N
XLogP1.78
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-3-methylpentanoic acid
CID 120517390
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533637
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
2-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548037
N-[cyclopropyl-(4-methylphenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55759168
1-(4-methoxyphenyl)-5-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 167831436
1-(4-methoxyphenyl)-5-methyl-N-pentylpyrazole-3-carboxamide
CID 110373105
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
N-[3-(dimethylamino)propyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373057
N-butan-2-yl-5-cyclopropyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 110372682
4-[[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542009
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid (CID 120521108) is 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid is COc1ccc(-n2nc(C(=O)NC(C(=O)O)C3CC3)cc2C)cc1.
What is the InChIKey of 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is WBRNTTSBDZLWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-9-14(16(21)18-15(17(22)23)11-3-4-11)19-20(10)12-5-7-13(24-2)8-6-12/h5-9,11,15H,3-4H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid?
2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 329.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 120521108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).