3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid

C19H22ClN3O3 — CID 124697243

IUPAC3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[C@H](CCC(=O)O)C1
InChIInChI=1S/C19H22ClN3O3/c1-13-17(12-23(21-13)16-7-5-15(20)6-8-16)19(26)22-10-2-3-14(11-22)4-9-18(24)25/h5-8,12,14H,2-4,9-11H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyXZDOESVNYURKKN-CQSZACIVSA-N
MW375.86 g/mol
LogP3.55
Rot. Bonds5

About 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid (PubChem CID 124697243) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
PubChem CID124697243
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[C@H](CCC(=O)O)C1
InChIInChI=1S/C19H22ClN3O3/c1-13-17(12-23(21-13)16-7-5-15(20)6-8-16)19(26)22-10-2-3-14(11-22)4-9-18(24)25/h5-8,12,14H,2-4,9-11H2,1H3,(H,24,25)/t14-/m1/s1
InChIKeyXZDOESVNYURKKN-CQSZACIVSA-N
XLogP3.55
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]methanone
CID 119411305
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490627
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560888
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]methanone
CID 97253157
3-[(3R)-1-(2-fluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 97161540
3-[1-(2,3-difluoro-4-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 146109373
3-[1-(4-hydroxy-2-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 107670760
3-[(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124681902
[3-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-1-phenylpyrazol-4-yl)methanone
CID 119540836
3-[(3R)-1-(4-fluoro-3-methylbenzoyl)piperidin-3-yl]propanoic acid
CID 95031817
3-[(3S)-1-[3-(2-methoxyphenyl)-1-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688376
3-[(3R)-1-(1,6-dimethyl-4-oxopyridine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 125435416

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid (CID 124697243) is 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCC[C@H](CCC(=O)O)C1.
What is the InChIKey of 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid?
The InChIKey is XZDOESVNYURKKN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-17(12-23(21-13)16-7-5-15(20)6-8-16)19(26)22-10-2-3-14(11-22)4-9-18(24)25/h5-8,12,14H,2-4,9-11H2,1H3,(H,24,25)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid has a molecular weight of 375.86 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[1-(4-chlorophenyl)-3-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124697243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).