(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

C13H15Cl2N3O — CID 105047710

IUPAC(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-3-18-13(10(19-2)7-17-18)12(16)11-8(14)5-4-6-9(11)15/h4-7,12H,3,16H2,1-2H3
InChIKeyONUURTINVYBPMF-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.27
Rot. Bonds4

About (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine

(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (PubChem CID 105047710) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
PubChem CID105047710
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-3-18-13(10(19-2)7-17-18)12(16)11-8(14)5-4-6-9(11)15/h4-7,12H,3,16H2,1-2H3
InChIKeyONUURTINVYBPMF-UHFFFAOYSA-N
XLogP3.27
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114657653
(2-chloro-6-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114634594
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114649071
(2,4-dimethoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047931
(1-ethyl-4-methoxypyrazol-5-yl)-(3-propoxyphenyl)methanamine
CID 105047835
(3,4-difluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 114646610
(1-ethyl-4-methoxypyrazol-5-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105047748
(1-ethyl-4-methoxypyrazol-5-yl)-isoquinolin-1-ylmethanamine
CID 114651952
(1-ethyl-4-methoxypyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105186704

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The IUPAC name of (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine (CID 105047710) is (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine.
What is the SMILES notation for (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The canonical SMILES for (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is CCn1ncc(OC)c1C(N)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
The InChIKey is ONUURTINVYBPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-3-18-13(10(19-2)7-17-18)12(16)11-8(14)5-4-6-9(11)15/h4-7,12H,3,16H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine?
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine has a molecular weight of 300.19 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine is sourced from PubChem (CID 105047710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).