(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine

C15H15N3S — CID 107332136

IUPAC(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccnn2-c2ccccc2)s1
InChIInChI=1S/C15H15N3S/c1-11-7-8-14(19-11)15(16)13-9-10-17-18(13)12-5-3-2-4-6-12/h2-10,15H,16H2,1H3
InChIKeyFZNFBALNGRSWLR-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.29
Rot. Bonds3

About (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine

(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine (PubChem CID 107332136) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
PubChem CID107332136
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
SMILESCc1ccc(C(N)c2ccnn2-c2ccccc2)s1
InChIInChI=1S/C15H15N3S/c1-11-7-8-14(19-11)15(16)13-9-10-17-18(13)12-5-3-2-4-6-12/h2-10,15H,16H2,1H3
InChIKeyFZNFBALNGRSWLR-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331981
(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
(3-methylphenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330491
(6-methyl-3-pyridinyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332063
2-(2-phenylpyrazol-3-yl)propan-1-amine
CID 105453704
[(2-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105307385
(3,5-difluorophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107330561
(3-ethyl-1-methylpyrazol-5-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331991
(2,5-dibromophenyl)-(2-phenylpyrazol-3-yl)methanamine
CID 107332044
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylpyrazol-3-yl)ethanamine
CID 107330598

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine (CID 107332136) is (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine is Cc1ccc(C(N)c2ccnn2-c2ccccc2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
The InChIKey is FZNFBALNGRSWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-7-8-14(19-11)15(16)13-9-10-17-18(13)12-5-3-2-4-6-12/h2-10,15H,16H2,1H3.
What are the key properties of (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine?
(5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine has a molecular weight of 269.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107332136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).