N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C23H24N6O2 — CID 39442300

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C23H24N6O2/c1-16-20(17(2)29(25-16)18-9-5-4-6-10-18)15-27(3)22(30)13-14-28-23(31)19-11-7-8-12-21(19)24-26-28/h4-12H,13-15H2,1-3H3
InChIKeyWFVFOGLXPRDIJA-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.64
Rot. Bonds6

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 39442300) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID39442300
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCn1nnc2ccccc2c1=O
InChIInChI=1S/C23H24N6O2/c1-16-20(17(2)29(25-16)18-9-5-4-6-10-18)15-27(3)22(30)13-14-28-23(31)19-11-7-8-12-21(19)24-26-28/h4-12H,13-15H2,1-3H3
InChIKeyWFVFOGLXPRDIJA-UHFFFAOYSA-N
XLogP2.64
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylacetamide
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3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
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N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-methylpropanamide
CID 40797001
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
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tert-butyl N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 39442300) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCn1nnc2ccccc2c1=O.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is WFVFOGLXPRDIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16-20(17(2)29(25-16)18-9-5-4-6-10-18)15-27(3)22(30)13-14-28-23(31)19-11-7-8-12-21(19)24-26-28/h4-12H,13-15H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 416.49 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 39442300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).