1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid

C19H24N4O3 — CID 119906680

IUPAC1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCc1cccc(Cn2nccc2NC(=O)CN2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-14-3-2-4-15(11-14)12-23-17(5-8-20-23)21-18(24)13-22-9-6-16(7-10-22)19(25)26/h2-5,8,11,16H,6-7,9-10,12-13H2,1H3,(H,21,24)(H,25,26)
InChIKeyDLIGCSMAKBKDPL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.97
Rot. Bonds6

About 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 119906680) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID119906680
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCc1cccc(Cn2nccc2NC(=O)CN2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C19H24N4O3/c1-14-3-2-4-15(11-14)12-23-17(5-8-20-23)21-18(24)13-22-9-6-16(7-10-22)19(25)26/h2-5,8,11,16H,6-7,9-10,12-13H2,1H3,(H,21,24)(H,25,26)
InChIKeyDLIGCSMAKBKDPL-UHFFFAOYSA-N
XLogP1.97
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507720
2-(2-methylmorpholin-4-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60507844
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 60502079
2-[cyclopropyl-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]amino]propanoic acid
CID 122100452
1-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904793
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 139016394
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
CID 55687689
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide;dihydrochloride
CID 120870624
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
2-(1-ethylimidazol-2-yl)sulfanyl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55868588
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 55840386
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137864

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 119906680) is 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid is Cc1cccc(Cn2nccc2NC(=O)CN2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is DLIGCSMAKBKDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-3-2-4-15(11-14)12-23-17(5-8-20-23)21-18(24)13-22-9-6-16(7-10-22)19(25)26/h2-5,8,11,16H,6-7,9-10,12-13H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119906680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).