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

C19H19Cl2N3 — CID 59446651

IUPAC3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3/c1-22-9-8-17(18-7-6-16(20)10-19(18)21)14-4-2-13(3-5-14)15-11-23-24-12-15/h2-7,10-12,17,22H,8-9H2,1H3,(H,23,24)
InChIKeyDGQUCNNGMIAMHI-UHFFFAOYSA-N
MW360.29 g/mol
LogP5.12
Rot. Bonds6

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

3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 59446651) has the molecular formula C19H19Cl2N3 and a molecular weight of 360.29 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
PubChem CID59446651
Molecular FormulaC19H19Cl2N3
Molecular Weight360.29 g/mol
Exact Mass359.10
IUPAC Name3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
SMILESCNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2N3/c1-22-9-8-17(18-7-6-16(20)10-19(18)21)14-4-2-13(3-5-14)15-11-23-24-12-15/h2-7,10-12,17,22H,8-9H2,1H3,(H,23,24)
InChIKeyDGQUCNNGMIAMHI-UHFFFAOYSA-N
XLogP5.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.29
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
CID 11405111
3-(4-chlorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 71143204
4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol
CID 174505000
3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 143066737
O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
CID 145474090
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
4-[4-(1-naphthalen-2-ylpentyl)phenyl]-1H-pyrazole
CID 58302956
4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
CID 70840207
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine (CID 59446651) is 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is CNCCC(c1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is DGQUCNNGMIAMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3/c1-22-9-8-17(18-7-6-16(20)10-19(18)21)14-4-2-13(3-5-14)15-11-23-24-12-15/h2-7,10-12,17,22H,8-9H2,1H3,(H,23,24).
What are the key properties of 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine?
3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 360.29 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 59446651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).