1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

C15H14BrN3S — CID 107960678

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1csc(Br)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H14BrN3S/c1-17-15(11-7-14(16)20-10-11)12-8-18-19(9-12)13-5-3-2-4-6-13/h2-10,15,17H,1H3
InChIKeyPEUSLAOEQQAJCI-UHFFFAOYSA-N
MW348.27 g/mol
LogP4.01
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine

1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 107960678) has the molecular formula C15H14BrN3S and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID107960678
Molecular FormulaC15H14BrN3S
Molecular Weight348.27 g/mol
Exact Mass347.01
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1csc(Br)c1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H14BrN3S/c1-17-15(11-7-14(16)20-10-11)12-8-18-19(9-12)13-5-3-2-4-6-13/h2-10,15,17H,1H3
InChIKeyPEUSLAOEQQAJCI-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486037
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485986
1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 43492518
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
1-(5-bromothiophen-3-yl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 105077014
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332623

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine (CID 107960678) is 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1csc(Br)c1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is PEUSLAOEQQAJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S/c1-17-15(11-7-14(16)20-10-11)12-8-18-19(9-12)13-5-3-2-4-6-13/h2-10,15,17H,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine?
1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 348.27 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 107960678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).