(1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine

C13H17N3 — CID 7131118

IUPAC(1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(Cc2ccccc2)c(C)c1CN
InChIInChI=1S/C13H17N3/c1-10-13(8-14)11(2)16(15-10)9-12-6-4-3-5-7-12/h3-7H,8-9,14H2,1-2H3
InChIKeyLVFJOKRQRQBQAZ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.01
Rot. Bonds3

About (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine

(1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine (PubChem CID 7131118) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine
PubChem CID7131118
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(Cc2ccccc2)c(C)c1CN
InChIInChI=1S/C13H17N3/c1-10-13(8-14)11(2)16(15-10)9-12-6-4-3-5-7-12/h3-7H,8-9,14H2,1-2H3
InChIKeyLVFJOKRQRQBQAZ-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine (CID 7131118) is (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine is Cc1nn(Cc2ccccc2)c(C)c1CN.
What is the InChIKey of (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine?
The InChIKey is LVFJOKRQRQBQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-13(8-14)11(2)16(15-10)9-12-6-4-3-5-7-12/h3-7H,8-9,14H2,1-2H3.
What are the key properties of (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine?
(1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,5-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 7131118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).