1-benzyl-5-methylpyrazol-3-amine

C11H13N3 — CID 5301150

IUPAC1-benzyl-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1ccccc1
InChIInChI=1S/C11H13N3/c1-9-7-11(12)13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyNCWKERQXFLLBNF-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.82
Rot. Bonds2

About 1-benzyl-5-methylpyrazol-3-amine

1-benzyl-5-methylpyrazol-3-amine (PubChem CID 5301150) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-benzyl-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-benzyl-5-methylpyrazol-3-amine
PubChem CID5301150
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-benzyl-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1ccccc1
InChIInChI=1S/C11H13N3/c1-9-7-11(12)13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyNCWKERQXFLLBNF-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
1-benzyl-1H-pyrazol-3-amine
CID 1508616
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
3-Methyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 775688
1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 778073
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
3-tert-butyl-1-phenyl-1H-pyrazol-5-amine
CID 770634
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
3-methyl-1-(3-methylphenyl)-1H-pyrazol-5-amine
CID 936840

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methylpyrazol-3-amine?
The IUPAC name of 1-benzyl-5-methylpyrazol-3-amine (CID 5301150) is 1-benzyl-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-benzyl-5-methylpyrazol-3-amine?
The canonical SMILES for 1-benzyl-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-methylpyrazol-3-amine?
The InChIKey is NCWKERQXFLLBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-7-11(12)13-14(9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13).
What are the key properties of 1-benzyl-5-methylpyrazol-3-amine?
1-benzyl-5-methylpyrazol-3-amine has a molecular weight of 187.25 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methylpyrazol-3-amine is sourced from PubChem (CID 5301150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).