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

C13H17BrN4O2 — CID 47426510

IUPAC1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2n[nH]c(C3CC3)c2Br)CC1
InChIInChI=1S/C13H17BrN4O2/c14-9-10(7-1-2-7)16-17-11(9)13(20)18-5-3-8(4-6-18)12(15)19/h7-8H,1-6H2,(H2,15,19)(H,16,17)
InChIKeyALUFPMSSXSRVEM-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.39
Rot. Bonds3

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

1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 47426510) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
PubChem CID47426510
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2n[nH]c(C3CC3)c2Br)CC1
InChIInChI=1S/C13H17BrN4O2/c14-9-10(7-1-2-7)16-17-11(9)13(20)18-5-3-8(4-6-18)12(15)19/h7-8H,1-6H2,(H2,15,19)(H,16,17)
InChIKeyALUFPMSSXSRVEM-UHFFFAOYSA-N
XLogP1.39
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide (CID 47426510) is 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2n[nH]c(C3CC3)c2Br)CC1.
What is the InChIKey of 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ALUFPMSSXSRVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c14-9-10(7-1-2-7)16-17-11(9)13(20)18-5-3-8(4-6-18)12(15)19/h7-8H,1-6H2,(H2,15,19)(H,16,17).
What are the key properties of 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide?
1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 47426510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).