5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

C12H13N7 — CID 63751375

IUPAC5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1-n1nnc2ccccc21
InChIInChI=1S/C12H13N7/c1-7-10(11(13)14)12(18(2)16-7)19-9-6-4-3-5-8(9)15-17-19/h3-6H,1-2H3,(H3,13,14)
InChIKeyBJSNUPGUAHZFKR-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.75
Rot. Bonds2

About 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63751375) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63751375
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1-n1nnc2ccccc21
InChIInChI=1S/C12H13N7/c1-7-10(11(13)14)12(18(2)16-7)19-9-6-4-3-5-8(9)15-17-19/h3-6H,1-2H3,(H3,13,14)
InChIKeyBJSNUPGUAHZFKR-UHFFFAOYSA-N
XLogP0.75
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carbonitrile
CID 63752853
5-(4,5-dimethylimidazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 55241555
1,3-dimethyl-5-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole-4-carboximidamide
CID 55241554
5-(4-cyclopropylpiperazin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 55243294
3-(benzotriazol-1-yl)pyridazine-4-carboximidamide
CID 80513597
5-[(2-bromophenyl)methoxy]-1,3-dimethylpyrazole-4-carboximidamide
CID 82824514
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
CID 63752575
5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide
CID 106836120
5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 55241171
CID 68739763
CID 68739763
1,3-dimethyl-5-naphthalen-2-ylsulfanylpyrazole-4-carboximidamide
CID 63752643
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-dimethylpyrazole-4-carboximidamide
CID 64576688

Frequently Asked Questions

What is the IUPAC name of 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (CID 63751375) is 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1-n1nnc2ccccc21.
What is the InChIKey of 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is BJSNUPGUAHZFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-7-10(11(13)14)12(18(2)16-7)19-9-6-4-3-5-8(9)15-17-19/h3-6H,1-2H3,(H3,13,14).
What are the key properties of 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 255.29 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzotriazol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63751375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).