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

C17H17N3 — CID 107330491

IUPAC(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C17H17N3/c1-13-6-5-7-14(12-13)17(18)16-10-11-19-20(16)15-8-3-2-4-9-15/h2-12,17H,18H2,1H3
InChIKeyQZMBOQJVMYVNGF-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds3

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

(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107330491) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107330491
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCc1cccc(C(N)c2ccnn2-c2ccccc2)c1
InChIInChI=1S/C17H17N3/c1-13-6-5-7-14(12-13)17(18)16-10-11-19-20(16)15-8-3-2-4-9-15/h2-12,17H,18H2,1H3
InChIKeyQZMBOQJVMYVNGF-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

(3-methylphenyl)-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 114197621
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
(6-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332063
(5-methylfuran-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332054
(2-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330490
(2-methylfuran-3-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330866
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309
(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332136
(5-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332331
(3-bromo-5-methylphenyl)-(2-phenylpyrazol-3-yl)methanol
CID 107332266
(3-methylphenyl)-pyridazin-4-ylmethanamine
CID 105090632
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine (CID 107330491) is (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine is Cc1cccc(C(N)c2ccnn2-c2ccccc2)c1.
What is the InChIKey of (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is QZMBOQJVMYVNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-6-5-7-14(12-13)17(18)16-10-11-19-20(16)15-8-3-2-4-9-15/h2-12,17H,18H2,1H3.
What are the key properties of (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine?
(3-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 (3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107330491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).