1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine

C12H14ClN3 — CID 43381499

IUPAC1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(C(C)N)cnn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-8(14)10-7-15-16(9(10)2)12-6-4-3-5-11(12)13/h3-8H,14H2,1-2H3
InChIKeyHJEJJWUNQJQNLB-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.85
Rot. Bonds2

About 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine

1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine (PubChem CID 43381499) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
PubChem CID43381499
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(C(C)N)cnn1-c1ccccc1Cl
InChIInChI=1S/C12H14ClN3/c1-8(14)10-7-15-16(9(10)2)12-6-4-3-5-11(12)13/h3-8H,14H2,1-2H3
InChIKeyHJEJJWUNQJQNLB-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine (CID 43381499) is 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine is Cc1c(C(C)N)cnn1-c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is HJEJJWUNQJQNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8(14)10-7-15-16(9(10)2)12-6-4-3-5-11(12)13/h3-8H,14H2,1-2H3.
What are the key properties of 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 43381499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).