5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine

C9H12BrN5 — CID 165492799

IUPAC5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1nn(C)cc1Br
InChIInChI=1S/C9H12BrN5/c1-3-5-7(12-13-9(5)11)8-6(10)4-15(2)14-8/h4H,3H2,1-2H3,(H3,11,12,13)
InChIKeySMIBBBAZZHZYBM-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.72
Rot. Bonds2

About 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine

5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine (PubChem CID 165492799) has the molecular formula C9H12BrN5 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine
PubChem CID165492799
Molecular FormulaC9H12BrN5
Molecular Weight270.13 g/mol
Exact Mass269.03
IUPAC Name5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1nn(C)cc1Br
InChIInChI=1S/C9H12BrN5/c1-3-5-7(12-13-9(5)11)8-6(10)4-15(2)14-8/h4H,3H2,1-2H3,(H3,11,12,13)
InChIKeySMIBBBAZZHZYBM-UHFFFAOYSA-N
XLogP1.72
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine
CID 164653963
5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 107955144
5-(5-chlorothiophen-2-yl)-4-ethyl-1H-pyrazol-3-amine
CID 62278595
5-(2,3-dichlorophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670697
4-ethyl-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210316
4-ethyl-5-methyl-1H-pyrazol-3-amine
CID 3159689
5-(2,3-dimethylphenyl)-4-ethyl-1H-pyrazol-3-amine
CID 43670611
5-(3-ethyl-1-methylpyrazol-4-yl)-4-phenyl-1H-pyrazol-3-amine
CID 102810605
3-amino-4-ethyl-1H-pyrazole-5-carbaldehyde
CID 87243493
4-ethyl-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 53398873
5-(4,5-dibromothiophen-2-yl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 80536627
5-(5-bromothiophen-2-yl)-4-propyl-1H-pyrazol-3-amine
CID 79405503

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine (CID 165492799) is 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1nn(C)cc1Br.
What is the InChIKey of 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine?
The InChIKey is SMIBBBAZZHZYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5/c1-3-5-7(12-13-9(5)11)8-6(10)4-15(2)14-8/h4H,3H2,1-2H3,(H3,11,12,13).
What are the key properties of 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine?
5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine has a molecular weight of 270.13 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1-methylpyrazol-3-yl)-4-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 165492799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).