N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C16H19BrN4O2 — CID 51118797

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)N1CCC(CO)CC1
InChIInChI=1S/C16H19BrN4O2/c17-13-9-18-21(10-13)15-4-2-1-3-14(15)19-16(23)20-7-5-12(11-22)6-8-20/h1-4,9-10,12,22H,5-8,11H2,(H,19,23)
InChIKeyBWOCYTGAICCXOQ-UHFFFAOYSA-N
MW379.26 g/mol
LogP2.87
Rot. Bonds3

About N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 51118797) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID51118797
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)N1CCC(CO)CC1
InChIInChI=1S/C16H19BrN4O2/c17-13-9-18-21(10-13)15-4-2-1-3-14(15)19-16(23)20-7-5-12(11-22)6-8-20/h1-4,9-10,12,22H,5-8,11H2,(H,19,23)
InChIKeyBWOCYTGAICCXOQ-UHFFFAOYSA-N
XLogP2.87
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55764236
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 154836216
N-(3-bromo-4-pyridinyl)-4-(hydroxymethyl)azepane-1-carboxamide
CID 146092165
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
4-(hydroxymethyl)-N-[2-(2-phenylethynyl)phenyl]piperidine-1-carboxamide
CID 111566379
3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55777756
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 55699552
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 51118797) is N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(Nc1ccccc1-n1cc(Br)cn1)N1CCC(CO)CC1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is BWOCYTGAICCXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c17-13-9-18-21(10-13)15-4-2-1-3-14(15)19-16(23)20-7-5-12(11-22)6-8-20/h1-4,9-10,12,22H,5-8,11H2,(H,19,23).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 51118797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).