2-benzyl-5-methylpyrazol-3-amine

C11H13N3 — CID 769146

IUPAC2-benzyl-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3
InChIKeyWRHZMJSDCJXWDL-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.82
Rot. Bonds2

About 2-benzyl-5-methylpyrazol-3-amine

2-benzyl-5-methylpyrazol-3-amine (PubChem CID 769146) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-benzyl-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-benzyl-5-methylpyrazol-3-amine
PubChem CID769146
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-benzyl-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(Cc2ccccc2)n1
InChIInChI=1S/C11H13N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3
InChIKeyWRHZMJSDCJXWDL-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
Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
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
2-Phenyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-amine
CID 7130757
5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
CID 81585
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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-methylpyrazol-3-amine?
The IUPAC name of 2-benzyl-5-methylpyrazol-3-amine (CID 769146) is 2-benzyl-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-benzyl-5-methylpyrazol-3-amine?
The canonical SMILES for 2-benzyl-5-methylpyrazol-3-amine is Cc1cc(N)n(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-5-methylpyrazol-3-amine?
The InChIKey is WRHZMJSDCJXWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h2-7H,8,12H2,1H3.
What are the key properties of 2-benzyl-5-methylpyrazol-3-amine?
2-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 2-benzyl-5-methylpyrazol-3-amine is sourced from PubChem (CID 769146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).