2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

C13H16ClN3 — CID 82872011

IUPAC2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(CC(CN)c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN3/c1-17-7-6-11(16-17)8-10(9-15)12-4-2-3-5-13(12)14/h2-7,10H,8-9,15H2,1H3
InChIKeyRTGPEINUTOXDGC-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.36
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 82872011) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID82872011
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCn1ccc(CC(CN)c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN3/c1-17-7-6-11(16-17)8-10(9-15)12-4-2-3-5-13(12)14/h2-7,10H,8-9,15H2,1H3
InChIKeyRTGPEINUTOXDGC-UHFFFAOYSA-N
XLogP2.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877940
3-[3-chloro-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871988
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82870488
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869875
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82872185
3-[3-bromo-2-(2-fluorophenyl)propyl]-1-methylpyrazole
CID 82871989
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878097
N-[(2-chlorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920973
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 82872011) is 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is Cn1ccc(CC(CN)c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is RTGPEINUTOXDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-17-7-6-11(16-17)8-10(9-15)12-4-2-3-5-13(12)14/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 249.75 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 82872011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).