(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine

C14H12BrN3S — CID 43464655

IUPAC(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)c1)c1ccc(Br)s1
InChIInChI=1S/C14H12BrN3S/c15-13-7-6-12(19-13)14(16)10-8-17-18(9-10)11-4-2-1-3-5-11/h1-9,14H,16H2
InChIKeyUJYZUBYZCDLKFN-UHFFFAOYSA-N
MW334.24 g/mol
LogP3.74
Rot. Bonds3

About (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine

(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 43464655) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine
PubChem CID43464655
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine
SMILESNC(c1cnn(-c2ccccc2)c1)c1ccc(Br)s1
InChIInChI=1S/C14H12BrN3S/c15-13-7-6-12(19-13)14(16)10-8-17-18(9-10)11-4-2-1-3-5-11/h1-9,14H,16H2
InChIKeyUJYZUBYZCDLKFN-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine (CID 43464655) is (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine is NC(c1cnn(-c2ccccc2)c1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is UJYZUBYZCDLKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c15-13-7-6-12(19-13)14(16)10-8-17-18(9-10)11-4-2-1-3-5-11/h1-9,14H,16H2.
What are the key properties of (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine?
(5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 334.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43464655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).