3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine

C16H21Cl2N3O — CID 68551919

IUPAC3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine
SMILESCC(C)Oc1cc(CCCN)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H21Cl2N3O/c1-11(2)22-16-9-14(4-3-7-19)21(20-16)10-12-5-6-13(17)8-15(12)18/h5-6,8-9,11H,3-4,7,10,19H2,1-2H3
InChIKeyYITXBPQBDUKFGC-UHFFFAOYSA-N
MW342.27 g/mol
LogP3.92
Rot. Bonds7

About 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine

3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine (PubChem CID 68551919) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine
PubChem CID68551919
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine
SMILESCC(C)Oc1cc(CCCN)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H21Cl2N3O/c1-11(2)22-16-9-14(4-3-7-19)21(20-16)10-12-5-6-13(17)8-15(12)18/h5-6,8-9,11H,3-4,7,10,19H2,1-2H3
InChIKeyYITXBPQBDUKFGC-UHFFFAOYSA-N
XLogP3.92
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-benzyl-3-[3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propoxy]pyrazol-5-yl]propanoic acid
CID 69314543
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazole-5-carbaldehyde
CID 86617643
ethyl 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propanoate
CID 69318654
[(E)-2-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]ethenyl]sulfonylcarbamic acid
CID 68550099
2-methylpropylcarbamoyl 2-[3-butoxy-1-[(2,4-dichlorophenyl)methyl]pyrazol-5-yl]ethanesulfonate
CID 91008755
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
3-butoxy-1-[(2,4-dichlorophenyl)methyl]-5-hexan-2-ylpyrazole
CID 173139860
carbamoyl 1-[3-butoxy-1-[(2,4-dichlorophenyl)methyl]pyrazol-5-yl]-4-methylpentane-2-sulfonate
CID 87700812
pentylcarbamoyl 2-[3-butoxy-1-[(2,4-dichlorophenyl)methyl]pyrazol-5-yl]ethanesulfonate
CID 91570316
1-[(2,4-dichlorophenyl)methyl]-4-propan-2-yloxypyridin-2-one
CID 67305124
N-[2-(2,4-dichlorophenyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115974417
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
CID 143192052

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine?
The IUPAC name of 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine (CID 68551919) is 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine is CC(C)Oc1cc(CCCN)n(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine?
The InChIKey is YITXBPQBDUKFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c1-11(2)22-16-9-14(4-3-7-19)21(20-16)10-12-5-6-13(17)8-15(12)18/h5-6,8-9,11H,3-4,7,10,19H2,1-2H3.
What are the key properties of 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine?
3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine has a molecular weight of 342.27 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-dichlorophenyl)methyl]-3-propan-2-yloxypyrazol-5-yl]propan-1-amine is sourced from PubChem (CID 68551919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).