N-benzyl-1-methylpyrazol-3-amine

C11H13N3 — CID 12774754

IUPACN-benzyl-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)
InChIKeySNURKZHBZPONJX-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.03
Rot. Bonds3

About N-benzyl-1-methylpyrazol-3-amine

N-benzyl-1-methylpyrazol-3-amine (PubChem CID 12774754) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-benzyl-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-benzyl-1-methylpyrazol-3-amine
PubChem CID12774754
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-benzyl-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13)
InChIKeySNURKZHBZPONJX-UHFFFAOYSA-N
XLogP2.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methylpyrazol-3-amine?
The IUPAC name of N-benzyl-1-methylpyrazol-3-amine (CID 12774754) is N-benzyl-1-methylpyrazol-3-amine.
What is the SMILES notation for N-benzyl-1-methylpyrazol-3-amine?
The canonical SMILES for N-benzyl-1-methylpyrazol-3-amine is Cn1ccc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-1-methylpyrazol-3-amine?
The InChIKey is SNURKZHBZPONJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,12,13).
What are the key properties of N-benzyl-1-methylpyrazol-3-amine?
N-benzyl-1-methylpyrazol-3-amine has a molecular weight of 187.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methylpyrazol-3-amine is sourced from PubChem (CID 12774754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).