N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

C11H14BrN3O — CID 104652267

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(Br)o1
InChIInChI=1S/C11H14BrN3O/c1-6(9-4-5-10(12)16-9)13-11-7(2)14-15-8(11)3/h4-6,13H,1-3H3,(H,14,15)
InChIKeyAOFJUDZCIRYVRK-UHFFFAOYSA-N
MW284.16 g/mol
LogP3.56
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 104652267) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID104652267
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NC(C)c1ccc(Br)o1
InChIInChI=1S/C11H14BrN3O/c1-6(9-4-5-10(12)16-9)13-11-7(2)14-15-8(11)3/h4-6,13H,1-3H3,(H,14,15)
InChIKeyAOFJUDZCIRYVRK-UHFFFAOYSA-N
XLogP3.56
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromofuran-2-yl)ethyl]-2,6-dichloroaniline
CID 104653070
3,5-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1H-pyrazol-4-amine
CID 43777165
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-4-amine
CID 43547335
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-2-methylpyridin-3-amine
CID 114049353
N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 102868265
N-[1-(5-bromofuran-2-yl)ethyl]-4-chloroaniline
CID 104652071
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
N-[1-(5-bromofuran-2-yl)ethyl]-2,4-dimethylaniline
CID 113437433
N-[1-(5-bromofuran-2-yl)ethyl]-3-fluoro-5-methylaniline
CID 104653096
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
CID 43777234
N-[1-(5-bromofuran-2-yl)ethyl]-6-chloro-8-methylquinolin-5-amine
CID 104652307
N-[1-(5-bromofuran-2-yl)ethyl]-3-chloro-4-methylaniline
CID 104651996

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 104652267) is N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NC(C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is AOFJUDZCIRYVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-6(9-4-5-10(12)16-9)13-11-7(2)14-15-8(11)3/h4-6,13H,1-3H3,(H,14,15).
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 284.16 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 104652267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).