3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

C11H16N4O3 — CID 79160380

IUPAC3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cc(C(=O)O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O3/c1-7-2-4-15(5-3-7)11(18)12-9-6-8(10(16)17)13-14-9/h6-7H,2-5H2,1H3,(H,16,17)(H2,12,13,14,18)
InChIKeyZSTLDMZKYJOVLC-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.37
Rot. Bonds2

About 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid

3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 79160380) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID79160380
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCC1CCN(C(=O)Nc2cc(C(=O)O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O3/c1-7-2-4-15(5-3-7)11(18)12-9-6-8(10(16)17)13-14-9/h6-7H,2-5H2,1H3,(H,16,17)(H2,12,13,14,18)
InChIKeyZSTLDMZKYJOVLC-UHFFFAOYSA-N
XLogP1.37
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methylpiperidine-1-carboxamide
CID 104620483
4-methyl-N-pyridin-2-ylpiperidine-1-carboxamide
CID 47266968
N-(6-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
CID 79160532
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
CID 145485958
3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64528256
3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527275
N-(5-amino-3-bromo-2-pyridinyl)-4-methylpiperidine-1-carboxamide
CID 79160185
3-[(3,5-dimethylpiperidin-1-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528474
N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
CID 58135453

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid (CID 79160380) is 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is CC1CCN(C(=O)Nc2cc(C(=O)O)[nH]n2)CC1.
What is the InChIKey of 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZSTLDMZKYJOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-2-4-15(5-3-7)11(18)12-9-6-8(10(16)17)13-14-9/h6-7H,2-5H2,1H3,(H,16,17)(H2,12,13,14,18).
What are the key properties of 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidine-1-carbonyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 79160380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).