2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane

C14H20ClN3 — CID 142374334

IUPAC2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane
SMILESCC.Cc1ccc(-c2ccn(CCN)n2)cc1Cl
InChIInChI=1S/C12H14ClN3.C2H6/c1-9-2-3-10(8-11(9)13)12-4-6-16(15-12)7-5-14;1-2/h2-4,6,8H,5,7,14H2,1H3;1-2H3
InChIKeyDPDMNACINARVLL-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.50
Rot. Bonds3

About 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane

2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane (PubChem CID 142374334) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane.

Molecular Properties

Compound Name2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane
PubChem CID142374334
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane
SMILESCC.Cc1ccc(-c2ccn(CCN)n2)cc1Cl
InChIInChI=1S/C12H14ClN3.C2H6/c1-9-2-3-10(8-11(9)13)12-4-6-16(15-12)7-5-14;1-2/h2-4,6,8H,5,7,14H2,1H3;1-2H3
InChIKeyDPDMNACINARVLL-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane?
The IUPAC name of 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane (CID 142374334) is 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane.
What is the SMILES notation for 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane?
The canonical SMILES for 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane is CC.Cc1ccc(-c2ccn(CCN)n2)cc1Cl.
What is the InChIKey of 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane?
The InChIKey is DPDMNACINARVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3.C2H6/c1-9-2-3-10(8-11(9)13)12-4-6-16(15-12)7-5-14;1-2/h2-4,6,8H,5,7,14H2,1H3;1-2H3.
What are the key properties of 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane?
2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane has a molecular weight of 265.79 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane is sourced from PubChem (CID 142374334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).