3-bromo-4-(4-phenylpyrazol-1-yl)pyridine

C14H10BrN3 — CID 104778680

IUPAC3-bromo-4-(4-phenylpyrazol-1-yl)pyridine
SMILESBrc1cnccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H10BrN3/c15-13-9-16-7-6-14(13)18-10-12(8-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyGSZGVLSCWWKKHF-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.70
Rot. Bonds2

About 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine

3-bromo-4-(4-phenylpyrazol-1-yl)pyridine (PubChem CID 104778680) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(4-phenylpyrazol-1-yl)pyridine
PubChem CID104778680
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name3-bromo-4-(4-phenylpyrazol-1-yl)pyridine
SMILESBrc1cnccc1-n1cc(-c2ccccc2)cn1
InChIInChI=1S/C14H10BrN3/c15-13-9-16-7-6-14(13)18-10-12(8-17-18)11-4-2-1-3-5-11/h1-10H
InChIKeyGSZGVLSCWWKKHF-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-bromo-4-pyridinyl)pyrazol-4-yl]aniline
CID 104777835
3-(chloromethyl)-4-(4-phenylpyrazol-1-yl)pyridine
CID 81234038
2-[1-(3-fluoro-4-pyridinyl)pyrazol-4-yl]aniline
CID 104738903
5-bromo-6-(4-phenylpyrazol-1-yl)pyridin-3-amine
CID 79534571
4-bromo-1-(3-bromo-4-pyridinyl)pyrazol-3-amine
CID 104777834
1-[4-(bromomethyl)-2-fluorophenyl]-4-phenylpyrazole
CID 107086139
1-[2-(bromomethyl)-4-fluorophenyl]-4-phenylpyrazole
CID 107086140
5-chloro-2-(4-phenylpyrazol-1-yl)aniline
CID 62770426
1-[4-(bromomethyl)phenyl]-4-phenylpyrazole
CID 107086143
5-bromo-2-(4-phenylpyrazol-1-yl)benzenecarboximidamide
CID 114893168
3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
CID 62772004
4-(4-bromopyrazol-1-yl)-3-fluoropyridine
CID 118450422

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine (CID 104778680) is 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine is Brc1cnccc1-n1cc(-c2ccccc2)cn1.
What is the InChIKey of 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine?
The InChIKey is GSZGVLSCWWKKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-13-9-16-7-6-14(13)18-10-12(8-17-18)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine?
3-bromo-4-(4-phenylpyrazol-1-yl)pyridine has a molecular weight of 300.16 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-phenylpyrazol-1-yl)pyridine is sourced from PubChem (CID 104778680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).