3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine

C14H18ClN3O — CID 117123617

IUPAC3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
SMILESCOc1c(CCCN)c(C)nn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10-11(6-5-9-16)14(19-2)18(17-10)13-8-4-3-7-12(13)15/h3-4,7-8H,5-6,9,16H2,1-2H3
InChIKeyYRDOXGMTCFJVIC-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.73
Rot. Bonds5

About 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine

3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine (PubChem CID 117123617) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
PubChem CID117123617
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine
SMILESCOc1c(CCCN)c(C)nn1-c1ccccc1Cl
InChIInChI=1S/C14H18ClN3O/c1-10-11(6-5-9-16)14(19-2)18(17-10)13-8-4-3-7-12(13)15/h3-4,7-8H,5-6,9,16H2,1-2H3
InChIKeyYRDOXGMTCFJVIC-UHFFFAOYSA-N
XLogP2.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine (CID 117123617) is 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine is COc1c(CCCN)c(C)nn1-c1ccccc1Cl.
What is the InChIKey of 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine?
The InChIKey is YRDOXGMTCFJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-11(6-5-9-16)14(19-2)18(17-10)13-8-4-3-7-12(13)15/h3-4,7-8H,5-6,9,16H2,1-2H3.
What are the key properties of 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine?
3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)-5-methoxy-3-methylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 117123617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).