2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine

C12H14ClN3 — CID 65200453

IUPAC2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(C(N)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN3/c1-16-7-6-12(15-16)11(14)8-9-2-4-10(13)5-3-9/h2-7,11H,8,14H2,1H3
InChIKeyKQYMXQOEASZPDO-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.32
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine

2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 65200453) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID65200453
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCn1ccc(C(N)Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN3/c1-16-7-6-12(15-16)11(14)8-9-2-4-10(13)5-3-9/h2-7,11H,8,14H2,1H3
InChIKeyKQYMXQOEASZPDO-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65200458
2-(2-chloro-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 112653778
2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131183
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200827
2-(3-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200559
(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
CID 155905387
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876697
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
CID 65200725
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine (CID 65200453) is 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine is Cn1ccc(C(N)Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is KQYMXQOEASZPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-16-7-6-12(15-16)11(14)8-9-2-4-10(13)5-3-9/h2-7,11H,8,14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine?
2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65200453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).