1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine

C16H23N3 — CID 66022891

IUPAC1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine
SMILESCCCn1cc(-c2cccc(C(N)CC)c2)c(C)n1
InChIInChI=1S/C16H23N3/c1-4-9-19-11-15(12(3)18-19)13-7-6-8-14(10-13)16(17)5-2/h6-8,10-11,16H,4-5,9,17H2,1-3H3
InChIKeyNLRGLKKXUIMOIF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.68
Rot. Bonds5

About 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine

1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 66022891) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine
PubChem CID66022891
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine
SMILESCCCn1cc(-c2cccc(C(N)CC)c2)c(C)n1
InChIInChI=1S/C16H23N3/c1-4-9-19-11-15(12(3)18-19)13-7-6-8-14(10-13)16(17)5-2/h6-8,10-11,16H,4-5,9,17H2,1-3H3
InChIKeyNLRGLKKXUIMOIF-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine (CID 66022891) is 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine is CCCn1cc(-c2cccc(C(N)CC)c2)c(C)n1.
What is the InChIKey of 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is NLRGLKKXUIMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-19-11-15(12(3)18-19)13-7-6-8-14(10-13)16(17)5-2/h6-8,10-11,16H,4-5,9,17H2,1-3H3.
What are the key properties of 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine?
1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1-propylpyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 66022891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).