2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid

C17H19N3O3 — CID 138999558

IUPAC2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-n1cc(C(=O)NC(C)(C(=O)O)C2CC2)cn1
InChIInChI=1S/C17H19N3O3/c1-11-5-3-4-6-14(11)20-10-12(9-18-20)15(21)19-17(2,16(22)23)13-7-8-13/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyCDJDCSFWOYBATG-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds5

About 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid

2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 138999558) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
PubChem CID138999558
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1ccccc1-n1cc(C(=O)NC(C)(C(=O)O)C2CC2)cn1
InChIInChI=1S/C17H19N3O3/c1-11-5-3-4-6-14(11)20-10-12(9-18-20)15(21)19-17(2,16(22)23)13-7-8-13/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyCDJDCSFWOYBATG-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-N-(oxan-3-ylmethyl)pyrazole-4-carboxamide
CID 146087948
2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 119223849
1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 75469055
1-(2-methylphenyl)-N-[[(2R)-6-oxopiperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 154844458
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
(3S,4S)-4-methyl-1-[1-(2-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120953540
(2S)-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]hexanoic acid
CID 120615352
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120745668
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
1-(2-methylphenyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrazole-4-carboxamide
CID 95316080
N-[(3-hydroxythiolan-3-yl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 111597195

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid (CID 138999558) is 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid is Cc1ccccc1-n1cc(C(=O)NC(C)(C(=O)O)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is CDJDCSFWOYBATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-5-3-4-6-14(11)20-10-12(9-18-20)15(21)19-17(2,16(22)23)13-7-8-13/h3-6,9-10,13H,7-8H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid?
2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 313.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 138999558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).