N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine

C8H12BrN3 — CID 75512536

IUPACN-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine
SMILESC=C(Br)CN(C)c1cnn(C)c1
InChIInChI=1S/C8H12BrN3/c1-7(9)5-11(2)8-4-10-12(3)6-8/h4,6H,1,5H2,2-3H3
InChIKeyJARIWYZBJJZITM-UHFFFAOYSA-N
MW230.11 g/mol
LogP1.76
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine

N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine (PubChem CID 75512536) has the molecular formula C8H12BrN3 and a molecular weight of 230.11 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine
PubChem CID75512536
Molecular FormulaC8H12BrN3
Molecular Weight230.11 g/mol
Exact Mass229.02
IUPAC NameN-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine
SMILESC=C(Br)CN(C)c1cnn(C)c1
InChIInChI=1S/C8H12BrN3/c1-7(9)5-11(2)8-4-10-12(3)6-8/h4,6H,1,5H2,2-3H3
InChIKeyJARIWYZBJJZITM-UHFFFAOYSA-N
XLogP1.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(1-methylpyrazol-4-yl)amino]acetic acid
CID 82538136
N,1-dimethyl-N-trimethylsilylpyrazol-4-amine
CID 140624297
1-methyl-N,N-bis(tripropylsilyl)pyrazol-4-amine
CID 140624353
N,1-dimethyl-N-(quinolin-3-ylmethyl)pyrazol-4-amine
CID 100703434
ethane;1-ethyl-2-methyl-1-(1-methylpyrazol-4-yl)hydrazine
CID 91494663
N,1-dimethyl-N-[(2-nitrophenyl)methyl]pyrazol-4-amine
CID 122144233
4-but-1-en-2-yl-1-methylpyrazole
CID 89160989
(2R)-2-amino-N-methyl-N-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 130617270
N,1-dimethyl-N-triphenylsilylpyrazol-4-amine
CID 140624452
3-(aminomethyl)-5-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 102813654
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
1-methyl-N-phenyl-N-trimethylsilylpyrazol-4-amine
CID 140624758

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine (CID 75512536) is N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine is C=C(Br)CN(C)c1cnn(C)c1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine?
The InChIKey is JARIWYZBJJZITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3/c1-7(9)5-11(2)8-4-10-12(3)6-8/h4,6H,1,5H2,2-3H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine?
N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine has a molecular weight of 230.11 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N,1-dimethylpyrazol-4-amine is sourced from PubChem (CID 75512536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).