1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine

C15H20ClN3 — CID 112696022

IUPAC1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCn1cccn1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-2-15(13-6-3-7-14(16)12-13)17-8-4-10-19-11-5-9-18-19/h3,5-7,9,11-12,15,17H,2,4,8,10H2,1H3
InChIKeyKTPBJPICDLTIMD-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.67
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine

1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine (PubChem CID 112696022) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
PubChem CID112696022
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
SMILESCCC(NCCCn1cccn1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3/c1-2-15(13-6-3-7-14(16)12-13)17-8-4-10-19-11-5-9-18-19/h3,5-7,9,11-12,15,17H,2,4,8,10H2,1H3
InChIKeyKTPBJPICDLTIMD-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112700089
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 54951481
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
N-[(1R)-1-(3-chlorophenyl)propyl]hex-5-yn-1-amine
CID 99780755
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 115708619
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
N-[1-(3-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103716760
1-(3-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 60924589

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine (CID 112696022) is 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine is CCC(NCCCn1cccn1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
The InChIKey is KTPBJPICDLTIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-15(13-6-3-7-14(16)12-13)17-8-4-10-19-11-5-9-18-19/h3,5-7,9,11-12,15,17H,2,4,8,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine?
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 112696022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).