(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid

C15H16ClN3O3 — CID 119244369

IUPAC(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
SMILESCCc1c(C(=O)N[C@H](C)C(=O)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-3-13-12(14(20)18-9(2)15(21)22)8-17-19(13)11-6-4-5-10(16)7-11/h4-9H,3H2,1-2H3,(H,18,20)(H,21,22)/t9-/m1/s1
InChIKeyLFHNNIXIEWBQNU-SECBINFHSA-N
MW321.76 g/mol
LogP2.29
Rot. Bonds5

About (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid

(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 119244369) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
PubChem CID119244369
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
SMILESCCc1c(C(=O)N[C@H](C)C(=O)O)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-3-13-12(14(20)18-9(2)15(21)22)8-17-19(13)11-6-4-5-10(16)7-11/h4-9H,3H2,1-2H3,(H,18,20)(H,21,22)/t9-/m1/s1
InChIKeyLFHNNIXIEWBQNU-SECBINFHSA-N
XLogP2.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119639884
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55596234
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32953030
2-[(5-ethyl-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 115731144

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid (CID 119244369) is (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid is CCc1c(C(=O)N[C@H](C)C(=O)O)cnn1-c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is LFHNNIXIEWBQNU-SECBINFHSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-3-13-12(14(20)18-9(2)15(21)22)8-17-19(13)11-6-4-5-10(16)7-11/h4-9H,3H2,1-2H3,(H,18,20)(H,21,22)/t9-/m1/s1.
What are the key properties of (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid?
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 321.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119244369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).