2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid

C15H16BrN3O3 — CID 119230725

IUPAC2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(C)(C(=O)Nc1ccn(CC(=O)O)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O3/c1-15(2,10-3-5-11(16)6-4-10)14(22)17-12-7-8-19(18-12)9-13(20)21/h3-8H,9H2,1-2H3,(H,20,21)(H,17,18,22)
InChIKeyCSWRVAUUPBYNNU-UHFFFAOYSA-N
MW366.22 g/mol
LogP2.65
Rot. Bonds5

About 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119230725) has the molecular formula C15H16BrN3O3 and a molecular weight of 366.22 g/mol. Its IUPAC name is 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119230725
Molecular FormulaC15H16BrN3O3
Molecular Weight366.22 g/mol
Exact Mass365.04
IUPAC Name2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(C)(C(=O)Nc1ccn(CC(=O)O)n1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN3O3/c1-15(2,10-3-5-11(16)6-4-10)14(22)17-12-7-8-19(18-12)9-13(20)21/h3-8H,9H2,1-2H3,(H,20,21)(H,17,18,22)
InChIKeyCSWRVAUUPBYNNU-UHFFFAOYSA-N
XLogP2.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231270
2-[3-[[2-(3-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231188
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-(3-chlorophenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]-2-methylpropanamide
CID 84584295
2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid
CID 120524685
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 120524741
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-[(3-ethylthiophene-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 119231148

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid (CID 119230725) is 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid is CC(C)(C(=O)Nc1ccn(CC(=O)O)n1)c1ccc(Br)cc1.
What is the InChIKey of 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is CSWRVAUUPBYNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O3/c1-15(2,10-3-5-11(16)6-4-10)14(22)17-12-7-8-19(18-12)9-13(20)21/h3-8H,9H2,1-2H3,(H,20,21)(H,17,18,22).
What are the key properties of 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 366.22 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(4-bromophenyl)-2-methylpropanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).