(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine

C12H13BrClN3 — CID 114027064

IUPAC(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H13BrClN3/c1-2-17-11(5-6-16-17)12(15)9-7-8(14)3-4-10(9)13/h3-7,12H,2,15H2,1H3
InChIKeySQIPCCRMIFMMIK-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.37
Rot. Bonds3

About (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine

(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 114027064) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
PubChem CID114027064
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C12H13BrClN3/c1-2-17-11(5-6-16-17)12(15)9-7-8(14)3-4-10(9)13/h3-7,12H,2,15H2,1H3
InChIKeySQIPCCRMIFMMIK-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-chlorophenyl)-(2-propylpyrazol-3-yl)methanol
CID 66156283
(2-ethylpyrazol-3-yl)-(2-fluorophenyl)methanamine
CID 63976398
(4-chloro-3-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 107993240
[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307338
(2-ethylpyrazol-3-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115857825
(3-bromo-5-fluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 66426059
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
(3-bromophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63977430
(2-ethylpyrazol-3-yl)-(2-methylfuran-3-yl)methanamine
CID 104789763
(1,5-dimethylpyrazol-4-yl)-(2-ethylpyrazol-3-yl)methanamine
CID 105148404
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine (CID 114027064) is (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine is CCn1nccc1C(N)c1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is SQIPCCRMIFMMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c1-2-17-11(5-6-16-17)12(15)9-7-8(14)3-4-10(9)13/h3-7,12H,2,15H2,1H3.
What are the key properties of (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine?
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 314.61 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 114027064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).