1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H20N6O2 — CID 155874120

IUPAC1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccn(C)n2)(n2cccn2)CC1
InChIInChI=1S/C15H20N6O2/c1-12(22)20-10-5-15(6-11-20,21-8-3-7-16-21)14(23)17-13-4-9-19(2)18-13/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,17,18,23)
InChIKeyWJGADSOQDVVDPH-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.59
Rot. Bonds3

About 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide

1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155874120) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155874120
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccn(C)n2)(n2cccn2)CC1
InChIInChI=1S/C15H20N6O2/c1-12(22)20-10-5-15(6-11-20,21-8-3-7-16-21)14(23)17-13-4-9-19(2)18-13/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,17,18,23)
InChIKeyWJGADSOQDVVDPH-UHFFFAOYSA-N
XLogP0.59
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 155873094
1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874366
formic acid;1-(2-methoxyacetyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874628
formic acid;N-(1-methylpyrazol-3-yl)-1-(2-methylsulfonylacetyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873780
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619
formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 155879093
4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 120941273
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
CID 131036172
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
4-imidazol-1-yl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 155879722
1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983729

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155874120) is 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccn(C)n2)(n2cccn2)CC1.
What is the InChIKey of 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is WJGADSOQDVVDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-12(22)20-10-5-15(6-11-20,21-8-3-7-16-21)14(23)17-13-4-9-19(2)18-13/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,17,18,23).
What are the key properties of 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide?
1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155874120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).