(2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine

C12H13Cl2N3 — CID 105141854

IUPAC(2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cccc(Cl)c2Cl)n(C)n1
InChIInChI=1S/C12H13Cl2N3/c1-7-6-10(17(2)16-7)12(15)8-4-3-5-9(13)11(8)14/h3-6,12H,15H2,1-2H3
InChIKeyMGJQWSHVFALIDH-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.08
Rot. Bonds2

About (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine

(2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine (PubChem CID 105141854) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
PubChem CID105141854
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name(2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
SMILESCc1cc(C(N)c2cccc(Cl)c2Cl)n(C)n1
InChIInChI=1S/C12H13Cl2N3/c1-7-6-10(17(2)16-7)12(15)8-4-3-5-9(13)11(8)14/h3-6,12H,15H2,1-2H3
InChIKeyMGJQWSHVFALIDH-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine
CID 105150850
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
(2,5-dimethylpyrazol-3-yl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103397454
(2,3-dichlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045662
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
(2,3-dichlorophenyl)methanediamine
CID 139660481
(2,3-dichlorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559065
(2,3-dichlorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584760
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
1-(2,3-dichlorophenyl)ethanamine chloride
CID 51371192
(2,3-dichlorophenyl)-(2,5-dichlorothiophen-3-yl)methanamine
CID 43344832

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
The IUPAC name of (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine (CID 105141854) is (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
The canonical SMILES for (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine is Cc1cc(C(N)c2cccc(Cl)c2Cl)n(C)n1.
What is the InChIKey of (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
The InChIKey is MGJQWSHVFALIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-7-6-10(17(2)16-7)12(15)8-4-3-5-9(13)11(8)14/h3-6,12H,15H2,1-2H3.
What are the key properties of (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine?
(2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine has a molecular weight of 270.16 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105141854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).