(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine

C17H17N3 — CID 107330490

IUPAC(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCc1ccccc1C(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)17(18)16-11-12-19-20(16)14-8-3-2-4-9-14/h2-12,17H,18H2,1H3
InChIKeyOEIPRQUZFNGQJW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds3

About (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine

(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107330490) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107330490
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCc1ccccc1C(N)c1ccnn1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)17(18)16-11-12-19-20(16)14-8-3-2-4-9-14/h2-12,17H,18H2,1H3
InChIKeyOEIPRQUZFNGQJW-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylfuran-3-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330866
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332136
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332044
(6-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332063
(4-chloro-2-fluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330605
[2-(2-methoxyethyl)pyrazol-3-yl]-(2-methylphenyl)methanamine
CID 114277789
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331981
(2-aminophenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107330329

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine (CID 107330490) is (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine is Cc1ccccc1C(N)c1ccnn1-c1ccccc1.
What is the InChIKey of (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is OEIPRQUZFNGQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)17(18)16-11-12-19-20(16)14-8-3-2-4-9-14/h2-12,17H,18H2,1H3.
What are the key properties of (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107330490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).