1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide

C10H13BrN4O2 — CID 136545100

IUPAC1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2[nH]ncc2Br)C1
InChIInChI=1S/C10H13BrN4O2/c1-6(16)15-3-2-7(5-15)10(17)13-9-8(11)4-12-14-9/h4,7H,2-3,5H2,1H3,(H2,12,13,14,17)
InChIKeyDCUAVFHBGKPBPC-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.98
Rot. Bonds2

About 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide

1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 136545100) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID136545100
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2[nH]ncc2Br)C1
InChIInChI=1S/C10H13BrN4O2/c1-6(16)15-3-2-7(5-15)10(17)13-9-8(11)4-12-14-9/h4,7H,2-3,5H2,1H3,(H2,12,13,14,17)
InChIKeyDCUAVFHBGKPBPC-UHFFFAOYSA-N
XLogP0.98
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
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1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
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(2R)-N-(4-bromo-1H-pyrazol-5-yl)oxolane-2-carboxamide
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CID 110246586
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
1-acetyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
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1-acetyl-N-(3-bromo-5-methylphenyl)piperidine-4-carboxamide
CID 110671730
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
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(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide (CID 136545100) is 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide is CC(=O)N1CCC(C(=O)Nc2[nH]ncc2Br)C1.
What is the InChIKey of 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is DCUAVFHBGKPBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-6(16)15-3-2-7(5-15)10(17)13-9-8(11)4-12-14-9/h4,7H,2-3,5H2,1H3,(H2,12,13,14,17).
What are the key properties of 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-bromo-1H-pyrazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 136545100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).