[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine

C12H15N3 — CID 83848092

IUPAC[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCc1ccc(-c2n[nH]c(CN)c2C)cc1
InChIInChI=1S/C12H15N3/c1-8-3-5-10(6-4-8)12-9(2)11(7-13)14-15-12/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyYPYAXWTUBSHQFX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.15
Rot. Bonds2

About [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine

[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 83848092) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID83848092
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCc1ccc(-c2n[nH]c(CN)c2C)cc1
InChIInChI=1S/C12H15N3/c1-8-3-5-10(6-4-8)12-9(2)11(7-13)14-15-12/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyYPYAXWTUBSHQFX-UHFFFAOYSA-N
XLogP2.15
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine (CID 83848092) is [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine is Cc1ccc(-c2n[nH]c(CN)c2C)cc1.
What is the InChIKey of [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is YPYAXWTUBSHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-3-5-10(6-4-8)12-9(2)11(7-13)14-15-12/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine?
[4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 201.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 83848092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).