1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C15H19N5O3 — CID 56887214

IUPAC1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cncn3C)CC2)c1
InChIInChI=1S/C15H19N5O3/c1-11-7-17-20(9-11)15(14(22)23)3-5-19(6-4-15)13(21)12-8-16-10-18(12)2/h7-10H,3-6H2,1-2H3,(H,22,23)
InChIKeyBKRMNORPLONYMV-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.64
Rot. Bonds3

About 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56887214) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56887214
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cncn3C)CC2)c1
InChIInChI=1S/C15H19N5O3/c1-11-7-17-20(9-11)15(14(22)23)3-5-19(6-4-15)13(21)12-8-16-10-18(12)2/h7-10H,3-6H2,1-2H3,(H,22,23)
InChIKeyBKRMNORPLONYMV-UHFFFAOYSA-N
XLogP0.64
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-Methylpyrazol-4-yl)imidazol-4-yl]-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]methanone
CID 167898987
1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56885408
4-(2-methyl-1H-imidazol-1-yl)-1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 56888413
1-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56889173
1-[2-(2-methyl-1H-imidazol-1-yl)propanoyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895150
1-{6-[(dimethylamino)carbonyl]pyrazin-2-yl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56899930
1-[(2-ethylpyrimidin-5-yl)carbonyl]-4-(1H-imidazol-1-yl)piperidine-4-carboxylic acid
CID 56900345
4-(1H-imidazol-1-yl)-1-[(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 56900526
4-(1H-imidazol-1-yl)-1-[3-(3-methyl-1H-pyrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 56903488
4-(2-methyl-1H-imidazol-1-yl)-1-{[1-(1H-pyrazol-1-ylmethyl)cyclopropyl]carbonyl}piperidine-4-carboxylic acid
CID 56904017
1-[(2-cyclopropylpyrimidin-5-yl)carbonyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56904330
1-{[2-(methylamino)pyrimidin-5-yl]carbonyl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56904493

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56887214) is 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cncn3C)CC2)c1.
What is the InChIKey of 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is BKRMNORPLONYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-7-17-20(9-11)15(14(22)23)3-5-19(6-4-15)13(21)12-8-16-10-18(12)2/h7-10H,3-6H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazole-4-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56887214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).