(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine

C15H15N3S — CID 105155569

IUPAC(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2ccn(-c3ccccc3)n2)cs1
InChIInChI=1S/C15H15N3S/c1-11-9-12(10-19-11)15(16)14-7-8-18(17-14)13-5-3-2-4-6-13/h2-10,15H,16H2,1H3
InChIKeyCNJJOIDUSRSPKL-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.29
Rot. Bonds3

About (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine

(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine (PubChem CID 105155569) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine
PubChem CID105155569
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name(5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2ccn(-c3ccccc3)n2)cs1
InChIInChI=1S/C15H15N3S/c1-11-9-12(10-19-11)15(16)14-7-8-18(17-14)13-5-3-2-4-6-13/h2-10,15H,16H2,1H3
InChIKeyCNJJOIDUSRSPKL-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

(3-fluoro-4-methylphenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 107130387
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanamine
CID 107361673
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105092106
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
(2-methylpyrazol-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155652
N-methyl-1-(6-methyl-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105146116
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
(2,3-difluorophenyl)-(1-phenylpyrazol-3-yl)methanamine
CID 105150847
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(5-methylthiophen-3-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155533
(3-chlorothiophen-2-yl)-(1-phenylpyrazol-3-yl)methanol
CID 107361942

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine?
The IUPAC name of (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine (CID 105155569) is (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine is Cc1cc(C(N)c2ccn(-c3ccccc3)n2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine?
The InChIKey is CNJJOIDUSRSPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-9-12(10-19-11)15(16)14-7-8-18(17-14)13-5-3-2-4-6-13/h2-10,15H,16H2,1H3.
What are the key properties of (5-methylthiophen-3-yl)-(1-phenylpyrazol-3-yl)methanamine?
(5-methylthiophen-3-yl)-(1-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-3-yl)-(1-phenylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105155569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).