N-benzyl-3,5-dimethylpyrazol-1-amine

C12H15N3 — CID 15129844

IUPACN-benzyl-3,5-dimethylpyrazol-1-amine
SMILESCc1cc(C)n(NCc2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10-8-11(2)15(14-10)13-9-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeyRLUXOEQSCNOTRQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.24
Rot. Bonds3

About N-benzyl-3,5-dimethylpyrazol-1-amine

N-benzyl-3,5-dimethylpyrazol-1-amine (PubChem CID 15129844) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-benzyl-3,5-dimethylpyrazol-1-amine.

Molecular Properties

Compound NameN-benzyl-3,5-dimethylpyrazol-1-amine
PubChem CID15129844
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-benzyl-3,5-dimethylpyrazol-1-amine
SMILESCc1cc(C)n(NCc2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10-8-11(2)15(14-10)13-9-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3
InChIKeyRLUXOEQSCNOTRQ-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethylpyrazol-1-amine?
The IUPAC name of N-benzyl-3,5-dimethylpyrazol-1-amine (CID 15129844) is N-benzyl-3,5-dimethylpyrazol-1-amine.
What is the SMILES notation for N-benzyl-3,5-dimethylpyrazol-1-amine?
The canonical SMILES for N-benzyl-3,5-dimethylpyrazol-1-amine is Cc1cc(C)n(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-3,5-dimethylpyrazol-1-amine?
The InChIKey is RLUXOEQSCNOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-8-11(2)15(14-10)13-9-12-6-4-3-5-7-12/h3-8,13H,9H2,1-2H3.
What are the key properties of N-benzyl-3,5-dimethylpyrazol-1-amine?
N-benzyl-3,5-dimethylpyrazol-1-amine has a molecular weight of 201.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethylpyrazol-1-amine is sourced from PubChem (CID 15129844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).