2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid

C17H20ClN3O3 — CID 119193672

IUPAC2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)c1cc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)nn1C
InChIInChI=1S/C17H20ClN3O3/c1-11(2)15-8-14(19-20(15)3)17(24)21(10-16(22)23)9-12-4-6-13(18)7-5-12/h4-8,11H,9-10H2,1-3H3,(H,22,23)
InChIKeyDZTSRSPZDNPWHU-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.92
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid

2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (PubChem CID 119193672) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
PubChem CID119193672
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
SMILESCC(C)c1cc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)nn1C
InChIInChI=1S/C17H20ClN3O3/c1-11(2)15-8-14(19-20(15)3)17(24)21(10-16(22)23)9-12-4-6-13(18)7-5-12/h4-8,11H,9-10H2,1-3H3,(H,22,23)
InChIKeyDZTSRSPZDNPWHU-UHFFFAOYSA-N
XLogP2.92
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 75513335
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119189710
2-[(1-tert-butyl-1,2,4-triazole-3-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 138002762
2-[(4-chlorophenyl)methyl-(3,5-dimethylfuran-2-carbonyl)amino]acetic acid
CID 119193590
1-[(4-chlorophenyl)methyl]-5-propan-2-ylpyrazole-3-carboxylic acid
CID 95482965
2-[2-acetamidopropanoyl-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193678
2-[benzyl-(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]acetic acid
CID 100635915
2-[methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119209552
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 110336255
2-[(4-chlorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39422832
2-[(1-acetyl-2,3-dihydroindole-5-carbonyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193599
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 97219843

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid (CID 119193672) is 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is CC(C)c1cc(C(=O)N(CC(=O)O)Cc2ccc(Cl)cc2)nn1C.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
The InChIKey is DZTSRSPZDNPWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11(2)15-8-14(19-20(15)3)17(24)21(10-16(22)23)9-12-4-6-13(18)7-5-12/h4-8,11H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid?
2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid has a molecular weight of 349.82 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119193672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).