N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine

C10H12BrN3S — CID 60808180

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)c1sccc1Br
InChIInChI=1S/C10H12BrN3S/c1-7(10-8(11)4-6-15-10)12-9-3-5-14(2)13-9/h3-7H,1-2H3,(H,12,13)
InChIKeyYVRCPXIIZYELDG-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.42
Rot. Bonds3

About N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine (PubChem CID 60808180) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine
PubChem CID60808180
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine
SMILESCC(Nc1ccn(C)n1)c1sccc1Br
InChIInChI=1S/C10H12BrN3S/c1-7(10-8(11)4-6-15-10)12-9-3-5-14(2)13-9/h3-7H,1-2H3,(H,12,13)
InChIKeyYVRCPXIIZYELDG-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 43776723
3-N-[1-(3-bromothiophen-2-yl)ethyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43784239
5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 54866057
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-methylpyrazol-3-amine
CID 93329707
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-3-amine
CID 65197071
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylaniline
CID 43759216
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2-methylaniline
CID 43758862
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-2,5-difluoroaniline
CID 107609332
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 43761452
3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
CID 43771069
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine (CID 60808180) is N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine is CC(Nc1ccn(C)n1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine?
The InChIKey is YVRCPXIIZYELDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-7(10-8(11)4-6-15-10)12-9-3-5-14(2)13-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine has a molecular weight of 286.20 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 60808180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).