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

C13H16ClN3 — CID 115046614

IUPAC3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1C(CCN)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-17-13(7-9-16-17)11(6-8-15)10-4-2-3-5-12(10)14/h2-5,7,9,11H,6,8,15H2,1H3
InChIKeyQWDZNJPDSJXSRM-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.55
Rot. Bonds4

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

3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 115046614) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID115046614
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1C(CCN)c1ccccc1Cl
InChIInChI=1S/C13H16ClN3/c1-17-13(7-9-16-17)11(6-8-15)10-4-2-3-5-12(10)14/h2-5,7,9,11H,6,8,15H2,1H3
InChIKeyQWDZNJPDSJXSRM-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 115029255
3-amino-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 82595670
3-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-amine
CID 154175040
3-(3-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 115053225
3-(2-chlorophenyl)-4-fluorobutan-1-amine
CID 115022437
2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756879
2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
3-(2-chlorophenyl)-4,4-dimethylpentan-1-amine
CID 82080937
4-amino-2-(2-chlorophenyl)butanal
CID 134207919
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
(2-chlorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114687461
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 66141148

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 115046614) is 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1C(CCN)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is QWDZNJPDSJXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-17-13(7-9-16-17)11(6-8-15)10-4-2-3-5-12(10)14/h2-5,7,9,11H,6,8,15H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 249.75 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 115046614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).