4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine

C13H15N5 — CID 119026611

IUPAC4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine
SMILESCc1nn(C)c2c(N)nn(Cc3ccccc3)c12
InChIInChI=1S/C13H15N5/c1-9-11-12(17(2)15-9)13(14)16-18(11)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,16)
InChIKeyRNDFVNPBIZTWOW-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.71
Rot. Bonds2

About 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine

4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine (PubChem CID 119026611) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine.

Molecular Properties

Compound Name4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine
PubChem CID119026611
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine
SMILESCc1nn(C)c2c(N)nn(Cc3ccccc3)c12
InChIInChI=1S/C13H15N5/c1-9-11-12(17(2)15-9)13(14)16-18(11)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,16)
InChIKeyRNDFVNPBIZTWOW-UHFFFAOYSA-N
XLogP1.71
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
1,3-dimethyl-5-(2-phenylethyl)pyrazol-4-amine
CID 173231229
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-benzyl-4-(4-methoxyphenyl)-3-methylpyrazol-5-amine
CID 970025
1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine
CID 118463415
5-amino-1-benzyl-4-methylpyrazole-3-carboxylic acid
CID 82589961
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylidene]indene-1,3-dione
CID 8855141
1-benzyl-4-propan-2-ylpyrazol-5-amine
CID 126480379
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-benzyl-4-methyltetrazol-4-ium-5-amine
CID 130156034
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
CID 113470210

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine?
The IUPAC name of 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine (CID 119026611) is 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine.
What is the SMILES notation for 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine?
The canonical SMILES for 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine is Cc1nn(C)c2c(N)nn(Cc3ccccc3)c12.
What is the InChIKey of 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine?
The InChIKey is RNDFVNPBIZTWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-11-12(17(2)15-9)13(14)16-18(11)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H2,14,16).
What are the key properties of 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine?
4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine has a molecular weight of 241.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine is sourced from PubChem (CID 119026611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).