1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide

C14H19BrN4O2 — CID 48594317

IUPAC1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C14H19BrN4O2/c1-7-2-3-9(13(16)20)6-19(7)14(21)12-10(15)11(17-18-12)8-4-5-8/h7-9H,2-6H2,1H3,(H2,16,20)(H,17,18)
InChIKeyYKRPQYTYXIFPKJ-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.78
Rot. Bonds3

About 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide

1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 48594317) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID48594317
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C14H19BrN4O2/c1-7-2-3-9(13(16)20)6-19(7)14(21)12-10(15)11(17-18-12)8-4-5-8/h7-9H,2-6H2,1H3,(H2,16,20)(H,17,18)
InChIKeyYKRPQYTYXIFPKJ-UHFFFAOYSA-N
XLogP1.78
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.78
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)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide (CID 48594317) is 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is YKRPQYTYXIFPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-7-2-3-9(13(16)20)6-19(7)14(21)12-10(15)11(17-18-12)8-4-5-8/h7-9H,2-6H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide?
1-(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 355.24 g/mol, XLogP of 1.78, 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)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 48594317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).