3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide

C13H15FN4O — CID 55100061

IUPAC3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCn1cccn1
InChIInChI=1S/C13H15FN4O/c1-15-12-10(4-2-5-11(12)14)13(19)16-7-9-18-8-3-6-17-18/h2-6,8,15H,7,9H2,1H3,(H,16,19)
InChIKeyNSDRTXRVGBZPRJ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.49
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide

3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 55100061) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID55100061
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCNc1c(F)cccc1C(=O)NCCn1cccn1
InChIInChI=1S/C13H15FN4O/c1-15-12-10(4-2-5-11(12)14)13(19)16-7-9-18-8-3-6-17-18/h2-6,8,15H,7,9H2,1H3,(H,16,19)
InChIKeyNSDRTXRVGBZPRJ-UHFFFAOYSA-N
XLogP1.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-fluoro-2-(methylamino)-N-(2-pyridin-4-ylethyl)benzamide
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2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
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N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
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3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
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3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide (CID 55100061) is 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide is CNc1c(F)cccc1C(=O)NCCn1cccn1.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is NSDRTXRVGBZPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-15-12-10(4-2-5-11(12)14)13(19)16-7-9-18-8-3-6-17-18/h2-6,8,15H,7,9H2,1H3,(H,16,19).
What are the key properties of 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide?
3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 262.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 55100061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).