(3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C10H13BrN4O2 — CID 172653917

IUPAC(3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2[nH]ncc2Br)C1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-13-14-8(7)10(17)15-3-1-2-6(5-15)9(12)16/h4,6H,1-3,5H2,(H2,12,16)(H,13,14)/t6-/m0/s1
InChIKeyUUCCVHLCPSLNLR-LURJTMIESA-N
MW301.14 g/mol
LogP0.51
Rot. Bonds2

About (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 172653917) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID172653917
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name(3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2[nH]ncc2Br)C1
InChIInChI=1S/C10H13BrN4O2/c11-7-4-13-14-8(7)10(17)15-3-1-2-6(5-15)9(12)16/h4,6H,1-3,5H2,(H2,12,16)(H,13,14)/t6-/m0/s1
InChIKeyUUCCVHLCPSLNLR-LURJTMIESA-N
XLogP0.51
TPSA92.08 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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 172653917) is (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)c2[nH]ncc2Br)C1.
What is the InChIKey of (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is UUCCVHLCPSLNLR-LURJTMIESA-N. The full InChI is InChI=1S/C10H13BrN4O2/c11-7-4-13-14-8(7)10(17)15-3-1-2-6(5-15)9(12)16/h4,6H,1-3,5H2,(H2,12,16)(H,13,14)/t6-/m0/s1.
What are the key properties of (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromo-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 172653917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).