1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine

C17H17N3 — CID 83222256

IUPAC1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
SMILESCc1ccccc1Cn1cc(N)c(-c2ccccc2)n1
InChIInChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)11-20-12-16(18)17(19-20)14-8-3-2-4-9-14/h2-10,12H,11,18H2,1H3
InChIKeyNHXROLCVMWBZJY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.49
Rot. Bonds3

About 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine

1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine (PubChem CID 83222256) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
PubChem CID83222256
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
SMILESCc1ccccc1Cn1cc(N)c(-c2ccccc2)n1
InChIInChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)11-20-12-16(18)17(19-20)14-8-3-2-4-9-14/h2-10,12H,11,18H2,1H3
InChIKeyNHXROLCVMWBZJY-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine (CID 83222256) is 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine is Cc1ccccc1Cn1cc(N)c(-c2ccccc2)n1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine?
The InChIKey is NHXROLCVMWBZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)11-20-12-16(18)17(19-20)14-8-3-2-4-9-14/h2-10,12H,11,18H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine?
1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine has a molecular weight of 263.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine is sourced from PubChem (CID 83222256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).