2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile

C14H7BrClN5O — CID 118142480

IUPAC2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2ncc(Cl)cn2)c1-n1cc(Br)cn1
InChIInChI=1S/C14H7BrClN5O/c15-10-5-20-21(8-10)13-9(4-17)2-1-3-12(13)22-14-18-6-11(16)7-19-14/h1-3,5-8H
InChIKeyUBICZWOIKLJVPP-UHFFFAOYSA-N
MW376.60 g/mol
LogP3.74
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile

2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile (PubChem CID 118142480) has the molecular formula C14H7BrClN5O and a molecular weight of 376.60 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile
PubChem CID118142480
Molecular FormulaC14H7BrClN5O
Molecular Weight376.60 g/mol
Exact Mass374.95
IUPAC Name2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2ncc(Cl)cn2)c1-n1cc(Br)cn1
InChIInChI=1S/C14H7BrClN5O/c15-10-5-20-21(8-10)13-9(4-17)2-1-3-12(13)22-14-18-6-11(16)7-19-14/h1-3,5-8H
InChIKeyUBICZWOIKLJVPP-UHFFFAOYSA-N
XLogP3.74
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.60
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile (CID 118142480) is 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile is N#Cc1cccc(Oc2ncc(Cl)cn2)c1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile?
The InChIKey is UBICZWOIKLJVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrClN5O/c15-10-5-20-21(8-10)13-9(4-17)2-1-3-12(13)22-14-18-6-11(16)7-19-14/h1-3,5-8H.
What are the key properties of 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile?
2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile has a molecular weight of 376.60 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-3-(5-chloropyrimidin-2-yl)oxybenzonitrile is sourced from PubChem (CID 118142480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).