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

C15H21N3 — CID 66009726

IUPAC1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
SMILESCCCc1nn(C)cc1-c1ccc(C(C)N)cc1
InChIInChI=1S/C15H21N3/c1-4-5-15-14(10-18(3)17-15)13-8-6-12(7-9-13)11(2)16/h6-11H,4-5,16H2,1-3H3
InChIKeyJJJNBIYMAKDXFG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.06
Rot. Bonds4

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

1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine (PubChem CID 66009726) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
PubChem CID66009726
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine
SMILESCCCc1nn(C)cc1-c1ccc(C(C)N)cc1
InChIInChI=1S/C15H21N3/c1-4-5-15-14(10-18(3)17-15)13-8-6-12(7-9-13)11(2)16/h6-11H,4-5,16H2,1-3H3
InChIKeyJJJNBIYMAKDXFG-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine (CID 66009726) is 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine is CCCc1nn(C)cc1-c1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine?
The InChIKey is JJJNBIYMAKDXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-5-15-14(10-18(3)17-15)13-8-6-12(7-9-13)11(2)16/h6-11H,4-5,16H2,1-3H3.
What are the key properties of 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine?
1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-3-propylpyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 66009726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).