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

C13H16ClN3 — CID 63278624

IUPAC1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(C(C)N)cnn1Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-9(15)12-7-16-17(10(12)2)8-11-5-3-4-6-13(11)14/h3-7,9H,8,15H2,1-2H3
InChIKeyZFRPFFXAHWSSHW-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.91
Rot. Bonds3

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

1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine (PubChem CID 63278624) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
PubChem CID63278624
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine
SMILESCc1c(C(C)N)cnn1Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-9(15)12-7-16-17(10(12)2)8-11-5-3-4-6-13(11)14/h3-7,9H,8,15H2,1-2H3
InChIKeyZFRPFFXAHWSSHW-UHFFFAOYSA-N
XLogP2.91
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
1-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 43381499
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]-5-ethylpyrazole
CID 66438839
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 63272233
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
[1-[(2-chlorophenyl)methyl]-5-methoxypyrazol-4-yl]methanamine
CID 115069265
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
N-[[1-[(3-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 102861828
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
2-[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]phenyl]acetohydrazide
CID 115465628

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine (CID 63278624) is 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine is Cc1c(C(C)N)cnn1Cc1ccccc1Cl.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine?
The InChIKey is ZFRPFFXAHWSSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9(15)12-7-16-17(10(12)2)8-11-5-3-4-6-13(11)14/h3-7,9H,8,15H2,1-2H3.
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine?
1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 63278624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).