2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine

C12H14ClN3 — CID 82291485

IUPAC2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(CCN)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9-10(5-6-14)8-15-16(9)12-4-2-3-11(13)7-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyGZCSLMQROUCRPG-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.34
Rot. Bonds3

About 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine

2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine (PubChem CID 82291485) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
PubChem CID82291485
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(CCN)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN3/c1-9-10(5-6-14)8-15-16(9)12-4-2-3-11(13)7-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyGZCSLMQROUCRPG-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291486
2-[1-(2,5-dichlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95473477
2-[1-(4-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82297303
4-(aminomethyl)-1-(3-chlorophenyl)pyrazol-5-amine
CID 115069399
N-[[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82528297
2-[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]ethanol
CID 105498410
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
[1-(3-chlorophenyl)-5-propylpyrazol-4-yl]methanol
CID 66437018
[1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-yl]methanamine
CID 66441286
1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole
CID 22087311
2-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]ethanamine
CID 95457156
4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine (CID 82291485) is 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine is Cc1c(CCN)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is GZCSLMQROUCRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-10(5-6-14)8-15-16(9)12-4-2-3-11(13)7-12/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine?
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 82291485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).