3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide

C20H18N6O2 — CID 46436600

IUPAC3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C20H18N6O2/c27-19(10-13-26-20(28)16-7-2-4-9-18(16)23-24-26)22-17-8-3-1-6-15(17)14-25-12-5-11-21-25/h1-9,11-12H,10,13-14H2,(H,22,27)
InChIKeyYWMBFZXVFDSEHR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.07
Rot. Bonds6

About 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide

3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 46436600) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID46436600
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCn1nnc2ccccc2c1=O)Nc1ccccc1Cn1cccn1
InChIInChI=1S/C20H18N6O2/c27-19(10-13-26-20(28)16-7-2-4-9-18(16)23-24-26)22-17-8-3-1-6-15(17)14-25-12-5-11-21-25/h1-9,11-12H,10,13-14H2,(H,22,27)
InChIKeyYWMBFZXVFDSEHR-UHFFFAOYSA-N
XLogP2.07
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 39498617
2-methyl-N-[2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]ethyl]propanamide
CID 39436419
N-(2,4-dichlorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905507
3-(1H-indol-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43068767
N-(4-anilinophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 29265855
2-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]benzamide
CID 4905480
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4901846
N-(2-chloro-4-fluorophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34803882
N-(2-methyl-3-nitrophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39437758
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylbutanamide
CID 4906393
N-[(2-fluorophenyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39430248

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 46436600) is 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCn1nnc2ccccc2c1=O)Nc1ccccc1Cn1cccn1.
What is the InChIKey of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is YWMBFZXVFDSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-19(10-13-26-20(28)16-7-2-4-9-18(16)23-24-26)22-17-8-3-1-6-15(17)14-25-12-5-11-21-25/h1-9,11-12H,10,13-14H2,(H,22,27).
What are the key properties of 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide?
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 374.40 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 46436600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).