4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine

C7H9BrClN3 — CID 106438393

IUPAC4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine
SMILESC/C(=C/Cl)Cn1cc(Br)c(N)n1
InChIInChI=1S/C7H9BrClN3/c1-5(2-9)3-12-4-6(8)7(10)11-12/h2,4H,3H2,1H3,(H2,10,11)/b5-2-
InChIKeyYVLKIQKPQHURGQ-DJWKRKHSSA-N
MW250.53 g/mol
LogP2.37
Rot. Bonds2

About 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine

4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine (PubChem CID 106438393) has the molecular formula C7H9BrClN3 and a molecular weight of 250.53 g/mol. Its IUPAC name is 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine
PubChem CID106438393
Molecular FormulaC7H9BrClN3
Molecular Weight250.53 g/mol
Exact Mass248.97
IUPAC Name4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine
SMILESC/C(=C/Cl)Cn1cc(Br)c(N)n1
InChIInChI=1S/C7H9BrClN3/c1-5(2-9)3-12-4-6(8)7(10)11-12/h2,4H,3H2,1H3,(H2,10,11)/b5-2-
InChIKeyYVLKIQKPQHURGQ-DJWKRKHSSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.53
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(methoxymethyl)pyrazol-3-amine
CID 65364325
1-(3-amino-4-bromopyrazol-1-yl)propan-2-ol
CID 65277437
6-(3-amino-4-bromopyrazol-1-yl)hexan-1-ol
CID 107703736
3-(3-amino-4-bromopyrazol-1-yl)-N-methylpropanamide
CID 62324609
4-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-amine
CID 82892603
1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazole-4-carboxylic acid
CID 106438903
4-bromo-1-(3-ethylsulfonylpropyl)pyrazol-3-amine
CID 65093221
4-bromo-1-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 165483608
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 82866303
4-bromo-1-[(1,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 165472779
4-bromo-1-[(5-ethylthiophen-2-yl)methyl]pyrazol-3-amine
CID 61176947
5-bromo-3-(3-chloro-2-methylprop-2-enyl)-6-methylpyrimidin-4-one
CID 106439728

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine (CID 106438393) is 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine is C/C(=C/Cl)Cn1cc(Br)c(N)n1.
What is the InChIKey of 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine?
The InChIKey is YVLKIQKPQHURGQ-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H9BrClN3/c1-5(2-9)3-12-4-6(8)7(10)11-12/h2,4H,3H2,1H3,(H2,10,11)/b5-2-.
What are the key properties of 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine?
4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine has a molecular weight of 250.53 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(Z)-3-chloro-2-methylprop-2-enyl]pyrazol-3-amine is sourced from PubChem (CID 106438393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).