1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine

C11H21N3 — CID 105449463

IUPAC1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
SMILESCCCc1cc(C(C)N)nn1C(C)C
InChIInChI=1S/C11H21N3/c1-5-6-10-7-11(9(4)12)13-14(10)8(2)3/h7-9H,5-6,12H2,1-4H3
InChIKeyDXMYJJLZDZGUCS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds4

About 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine

1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine (PubChem CID 105449463) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
PubChem CID105449463
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
SMILESCCCc1cc(C(C)N)nn1C(C)C
InChIInChI=1S/C11H21N3/c1-5-6-10-7-11(9(4)12)13-14(10)8(2)3/h7-9H,5-6,12H2,1-4H3
InChIKeyDXMYJJLZDZGUCS-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine (CID 105449463) is 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine is CCCc1cc(C(C)N)nn1C(C)C.
What is the InChIKey of 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine?
The InChIKey is DXMYJJLZDZGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-6-10-7-11(9(4)12)13-14(10)8(2)3/h7-9H,5-6,12H2,1-4H3.
What are the key properties of 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine?
1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine has a molecular weight of 195.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105449463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).