3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide

C16H12BrFN4O — CID 99631353

IUPAC3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-n2cc(Br)cn2)c1)c1ncccc1F
InChIInChI=1S/C16H12BrFN4O/c1-21(15-14(18)6-3-7-19-15)16(23)11-4-2-5-13(8-11)22-10-12(17)9-20-22/h2-10H,1H3
InChIKeyZVLAADGMYPTPRK-UHFFFAOYSA-N
MW375.20 g/mol
LogP3.45
Rot. Bonds3

About 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide

3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide (PubChem CID 99631353) has the molecular formula C16H12BrFN4O and a molecular weight of 375.20 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide
PubChem CID99631353
Molecular FormulaC16H12BrFN4O
Molecular Weight375.20 g/mol
Exact Mass374.02
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(-n2cc(Br)cn2)c1)c1ncccc1F
InChIInChI=1S/C16H12BrFN4O/c1-21(15-14(18)6-3-7-19-15)16(23)11-4-2-5-13(8-11)22-10-12(17)9-20-22/h2-10H,1H3
InChIKeyZVLAADGMYPTPRK-UHFFFAOYSA-N
XLogP3.45
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide (CID 99631353) is 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide is CN(C(=O)c1cccc(-n2cc(Br)cn2)c1)c1ncccc1F.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
The InChIKey is ZVLAADGMYPTPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O/c1-21(15-14(18)6-3-7-19-15)16(23)11-4-2-5-13(8-11)22-10-12(17)9-20-22/h2-10H,1H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide?
3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide has a molecular weight of 375.20 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-(3-fluoro-2-pyridinyl)-N-methylbenzamide is sourced from PubChem (CID 99631353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).