[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine

C10H11BrN4 — CID 62895020

IUPAC[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1Cn1cc(Br)cn1
InChIInChI=1S/C10H11BrN4/c11-9-5-14-15(7-9)6-8-2-1-3-13-10(8)4-12/h1-3,5,7H,4,6,12H2
InChIKeyIDQISFUVEPPYSJ-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.55
Rot. Bonds3

About [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine

[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine (PubChem CID 62895020) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
PubChem CID62895020
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1Cn1cc(Br)cn1
InChIInChI=1S/C10H11BrN4/c11-9-5-14-15(7-9)6-8-2-1-3-13-10(8)4-12/h1-3,5,7H,4,6,12H2
InChIKeyIDQISFUVEPPYSJ-UHFFFAOYSA-N
XLogP1.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine (CID 62895020) is [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine is NCc1ncccc1Cn1cc(Br)cn1.
What is the InChIKey of [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
The InChIKey is IDQISFUVEPPYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-9-5-14-15(7-9)6-8-2-1-3-13-10(8)4-12/h1-3,5,7H,4,6,12H2.
What are the key properties of [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine?
[3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine has a molecular weight of 267.13 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromopyrazol-1-yl)methyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 62895020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).