3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine

C15H12BrClN4 — CID 114835748

IUPAC3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
SMILESClc1cnc(NCc2ccccc2-n2cccn2)c(Br)c1
InChIInChI=1S/C15H12BrClN4/c16-13-8-12(17)10-19-15(13)18-9-11-4-1-2-5-14(11)21-7-3-6-20-21/h1-8,10H,9H2,(H,18,19)
InChIKeyQXWPQLXJOHKTMY-UHFFFAOYSA-N
MW363.65 g/mol
LogP4.30
Rot. Bonds4

About 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine (PubChem CID 114835748) has the molecular formula C15H12BrClN4 and a molecular weight of 363.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
PubChem CID114835748
Molecular FormulaC15H12BrClN4
Molecular Weight363.65 g/mol
Exact Mass361.99
IUPAC Name3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
SMILESClc1cnc(NCc2ccccc2-n2cccn2)c(Br)c1
InChIInChI=1S/C15H12BrClN4/c16-13-8-12(17)10-19-15(13)18-9-11-4-1-2-5-14(11)21-7-3-6-20-21/h1-8,10H,9H2,(H,18,19)
InChIKeyQXWPQLXJOHKTMY-UHFFFAOYSA-N
XLogP4.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine (CID 114835748) is 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine is Clc1cnc(NCc2ccccc2-n2cccn2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine?
The InChIKey is QXWPQLXJOHKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4/c16-13-8-12(17)10-19-15(13)18-9-11-4-1-2-5-14(11)21-7-3-6-20-21/h1-8,10H,9H2,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine has a molecular weight of 363.65 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 114835748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).