1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine

C18H19N3 — CID 60931144

IUPAC1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccccc1CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-15-7-5-6-10-17(15)11-19-18-12-20-21(14-18)13-16-8-3-2-4-9-16/h2-10,12,14,19H,11,13H2,1H3
InChIKeyAGLKNGITDYLMIL-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.85
Rot. Bonds5

About 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine

1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 60931144) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
PubChem CID60931144
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccccc1CNc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-15-7-5-6-10-17(15)11-19-18-12-20-21(14-18)13-16-8-3-2-4-9-16/h2-10,12,14,19H,11,13H2,1H3
InChIKeyAGLKNGITDYLMIL-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
CID 60931899
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 19346309
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
1-benzyl-N-[(5-ethylfuran-2-yl)methyl]pyrazol-4-amine
CID 62345818
1-(1-benzylpyrazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 19395055
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrazol-4-amine
CID 62999432
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine (CID 60931144) is 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine is Cc1ccccc1CNc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is AGLKNGITDYLMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-15-7-5-6-10-17(15)11-19-18-12-20-21(14-18)13-16-8-3-2-4-9-16/h2-10,12,14,19H,11,13H2,1H3.
What are the key properties of 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine?
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 60931144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).