1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

C16H21Cl2N3 — CID 62040459

IUPAC1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3/c1-3-16(14-7-6-13(17)9-15(14)18)19-8-4-5-12-10-20-21-11(12)2/h6-7,9-10,16,19H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyAUCIIGCZIWHCBI-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.70
Rot. Bonds7

About 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine

1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (PubChem CID 62040459) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
PubChem CID62040459
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
SMILESCCC(NCCCc1cn[nH]c1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H21Cl2N3/c1-3-16(14-7-6-13(17)9-15(14)18)19-8-4-5-12-10-20-21-11(12)2/h6-7,9-10,16,19H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyAUCIIGCZIWHCBI-UHFFFAOYSA-N
XLogP4.70
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62040667
4-[1-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]propyl]phenol
CID 62040234
1-(2,4-dichlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propan-1-amine
CID 65230515
1-(3-bromophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 62039401
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
1-(2,4-dichlorophenyl)-N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43503310
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 64917592
N-[1-(2,4-dichlorophenyl)propyl]-1H-indazol-7-amine
CID 43731052
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]hexan-2-amine
CID 62038562
N-[1-(2,6-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62040022

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine (CID 62040459) is 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is CCC(NCCCc1cn[nH]c1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
The InChIKey is AUCIIGCZIWHCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-3-16(14-7-6-13(17)9-15(14)18)19-8-4-5-12-10-20-21-11(12)2/h6-7,9-10,16,19H,3-5,8H2,1-2H3,(H,20,21).
What are the key properties of 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine has a molecular weight of 326.27 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine is sourced from PubChem (CID 62040459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).