4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide

C15H21BrFN5O — CID 67157869

IUPAC4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(Cc2c(Br)c(C#N)nn2C)CC1
InChIInChI=1S/C15H21BrFN5O/c1-10(2)19-14(23)22-6-4-15(17,5-7-22)8-12-13(16)11(9-18)20-21(12)3/h10H,4-8H2,1-3H3,(H,19,23)
InChIKeyLRNSVGVMBGCBBX-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.52
Rot. Bonds3

About 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide

4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 67157869) has the molecular formula C15H21BrFN5O and a molecular weight of 386.27 g/mol. Its IUPAC name is 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID67157869
Molecular FormulaC15H21BrFN5O
Molecular Weight386.27 g/mol
Exact Mass385.09
IUPAC Name4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(F)(Cc2c(Br)c(C#N)nn2C)CC1
InChIInChI=1S/C15H21BrFN5O/c1-10(2)19-14(23)22-6-4-15(17,5-7-22)8-12-13(16)11(9-18)20-21(12)3/h10H,4-8H2,1-3H3,(H,19,23)
InChIKeyLRNSVGVMBGCBBX-UHFFFAOYSA-N
XLogP2.52
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide (CID 67157869) is 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCC(F)(Cc2c(Br)c(C#N)nn2C)CC1.
What is the InChIKey of 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is LRNSVGVMBGCBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN5O/c1-10(2)19-14(23)22-6-4-15(17,5-7-22)8-12-13(16)11(9-18)20-21(12)3/h10H,4-8H2,1-3H3,(H,19,23).
What are the key properties of 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide?
4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 386.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-5-cyano-2-methylpyrazol-3-yl)methyl]-4-fluoro-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 67157869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).