2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide

C12H17BrN4O2 — CID 47374378

IUPAC2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]nc(C(=O)N2CCC(CC(N)=O)CC2)c1Br
InChIInChI=1S/C12H17BrN4O2/c1-7-10(13)11(16-15-7)12(19)17-4-2-8(3-5-17)6-9(14)18/h8H,2-6H2,1H3,(H2,14,18)(H,15,16)
InChIKeyCAHKMAPFADBBHM-UHFFFAOYSA-N
MW329.20 g/mol
LogP1.21
Rot. Bonds3

About 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide

2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 47374378) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID47374378
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide
SMILESCc1[nH]nc(C(=O)N2CCC(CC(N)=O)CC2)c1Br
InChIInChI=1S/C12H17BrN4O2/c1-7-10(13)11(16-15-7)12(19)17-4-2-8(3-5-17)6-9(14)18/h8H,2-6H2,1H3,(H2,14,18)(H,15,16)
InChIKeyCAHKMAPFADBBHM-UHFFFAOYSA-N
XLogP1.21
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide (CID 47374378) is 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide is Cc1[nH]nc(C(=O)N2CCC(CC(N)=O)CC2)c1Br.
What is the InChIKey of 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is CAHKMAPFADBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-7-10(13)11(16-15-7)12(19)17-4-2-8(3-5-17)6-9(14)18/h8H,2-6H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide?
2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 329.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 47374378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).