2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid

C16H19N3O3 — CID 119198521

IUPAC2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
SMILESCc1ccc(-c2cc(C(=O)N(CC(=O)O)C(C)C)[nH]n2)cc1
InChIInChI=1S/C16H19N3O3/c1-10(2)19(9-15(20)21)16(22)14-8-13(17-18-14)12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyRCCYVRUHMLGENT-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.32
Rot. Bonds5

About 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid

2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid (PubChem CID 119198521) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
PubChem CID119198521
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
SMILESCc1ccc(-c2cc(C(=O)N(CC(=O)O)C(C)C)[nH]n2)cc1
InChIInChI=1S/C16H19N3O3/c1-10(2)19(9-15(20)21)16(22)14-8-13(17-18-14)12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyRCCYVRUHMLGENT-UHFFFAOYSA-N
XLogP2.32
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]acetic acid
CID 119955102
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
2-[[2-(4-methylphenyl)-3-oxo-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid
CID 120581188
3-methyl-2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119170236
N-[1-(furan-2-yl)ethyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78853229
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 75392281
2-[(2-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 62514429
3-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119228642
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37137994
N,N-dibenzyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870925
N-(1-aminopropan-2-yl)-3-(4-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119581386

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid (CID 119198521) is 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid is Cc1ccc(-c2cc(C(=O)N(CC(=O)O)C(C)C)[nH]n2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid?
The InChIKey is RCCYVRUHMLGENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10(2)19(9-15(20)21)16(22)14-8-13(17-18-14)12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid?
2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).