1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid

C18H20N4O4 — CID 122118366

IUPAC1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1
InChIInChI=1S/C18H20N4O4/c1-11-7-12(18(25)26)10-21(9-11)17(24)14-8-15(16(19)23)22(20-14)13-5-3-2-4-6-13/h2-6,8,11-12H,7,9-10H2,1H3,(H2,19,23)(H,25,26)
InChIKeyVZKBBLMAKUZHBB-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.15
Rot. Bonds4

About 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid

1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122118366) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122118366
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1
InChIInChI=1S/C18H20N4O4/c1-11-7-12(18(25)26)10-21(9-11)17(24)14-8-15(16(19)23)22(20-14)13-5-3-2-4-6-13/h2-6,8,11-12H,7,9-10H2,1H3,(H2,19,23)(H,25,26)
InChIKeyVZKBBLMAKUZHBB-UHFFFAOYSA-N
XLogP1.15
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119129360
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377
1-phenyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrazole-5-carboxamide
CID 119138860
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117129
methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
CID 119129371
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 119436037
3-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinoline-1-carbonyl]-1-phenylpyrazole-5-carboxamide
CID 97060681
1-[1-(2-fluorophenyl)pyrazole-3-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118645
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858
5-methyl-1-[4-(2-methylpropoxy)-1-phenylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122118295
1-[1-(3-chlorophenyl)-5-propyltriazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119754

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid (CID 122118366) is 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1.
What is the InChIKey of 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is VZKBBLMAKUZHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-7-12(18(25)26)10-21(9-11)17(24)14-8-15(16(19)23)22(20-14)13-5-3-2-4-6-13/h2-6,8,11-12H,7,9-10H2,1H3,(H2,19,23)(H,25,26).
What are the key properties of 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid?
1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122118366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).