2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C15H21N7O — CID 56686259

IUPAC2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1nn(C)c2cn(C(C)C(=O)N(C)Cc3ccnn3C)nc12
InChIInChI=1S/C15H21N7O/c1-10-14-13(21(5)17-10)9-22(18-14)11(2)15(23)19(3)8-12-6-7-16-20(12)4/h6-7,9,11H,8H2,1-5H3
InChIKeyBTEDHTWHTKPXCP-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.03
Rot. Bonds4

About 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide

2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 56686259) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID56686259
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1nn(C)c2cn(C(C)C(=O)N(C)Cc3ccnn3C)nc12
InChIInChI=1S/C15H21N7O/c1-10-14-13(21(5)17-10)9-22(18-14)11(2)15(23)19(3)8-12-6-7-16-20(12)4/h6-7,9,11H,8H2,1-5H3
InChIKeyBTEDHTWHTKPXCP-UHFFFAOYSA-N
XLogP1.03
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 51985064
2-(3-methoxy-4-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19535952
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536019
2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 56686272
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N,2-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19540198
N-methyl-2-(5-methyl-4-nitropyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19536080
2-chloro-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19619342
4-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]butan-2-ol
CID 115883105
2-methyl-3-[methyl-[(2-methylpyrazol-3-yl)methyl]amino]propanoic acid
CID 65067288
4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278178
2-[methyl-[(2-methylpyrazol-3-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 19616909
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19531250

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 56686259) is 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide is Cc1nn(C)c2cn(C(C)C(=O)N(C)Cc3ccnn3C)nc12.
What is the InChIKey of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is BTEDHTWHTKPXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-10-14-13(21(5)17-10)9-22(18-14)11(2)15(23)19(3)8-12-6-7-16-20(12)4/h6-7,9,11H,8H2,1-5H3.
What are the key properties of 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 315.38 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazolo[4,3-c]pyrazol-5-yl)-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 56686259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).