2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid

C17H20ClN3O3 — CID 120977736

IUPAC2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCCn1cc(C(=O)NC(CC)(C(=O)O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H20ClN3O3/c1-3-9-21-11-12(10-19-21)15(22)20-17(4-2,16(23)24)13-5-7-14(18)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyZCCJSTOHSRTBCM-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.07
Rot. Bonds7

About 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid

2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid (PubChem CID 120977736) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid
PubChem CID120977736
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid
SMILESCCCn1cc(C(=O)NC(CC)(C(=O)O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H20ClN3O3/c1-3-9-21-11-12(10-19-21)15(22)20-17(4-2,16(23)24)13-5-7-14(18)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,23,24)
InChIKeyZCCJSTOHSRTBCM-UHFFFAOYSA-N
XLogP3.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-2-[(1-cyclopropylpyrazole-4-carbonyl)amino]butanoic acid
CID 136556361
3-ethyl-3-[(1-propylpyrazole-4-carbonyl)amino]pentanoic acid
CID 120532589
2-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201684
2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 120977802
2-(4-chlorophenyl)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 120977741
2-(4-chlorophenyl)-2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]butanoic acid
CID 120977921
2-(4-chlorophenyl)-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 120977793
2-(4-chlorophenyl)-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 120977719
2-(4-chlorophenyl)-2-[3-(2-methylpyrazol-3-yl)propanoylamino]butanoic acid
CID 120977695
2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid
CID 120977808
2-(4-chlorophenyl)-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 120977685
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid (CID 120977736) is 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid is CCCn1cc(C(=O)NC(CC)(C(=O)O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid?
The InChIKey is ZCCJSTOHSRTBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-3-9-21-11-12(10-19-21)15(22)20-17(4-2,16(23)24)13-5-7-14(18)8-6-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,22)(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid?
2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid has a molecular weight of 349.82 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120977736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).