1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine

C15H21N3 — CID 54910094

IUPAC1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3/c1-5-14(16)12-6-8-13(9-7-12)15-10(2)17-18(4)11(15)3/h6-9,14H,5,16H2,1-4H3
InChIKeyZYVXQYOZFKENGX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.11
Rot. Bonds3

About 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine

1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine (PubChem CID 54910094) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine
PubChem CID54910094
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C15H21N3/c1-5-14(16)12-6-8-13(9-7-12)15-10(2)17-18(4)11(15)3/h6-9,14H,5,16H2,1-4H3
InChIKeyZYVXQYOZFKENGX-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine (CID 54910094) is 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine is CCC(N)c1ccc(-c2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine?
The InChIKey is ZYVXQYOZFKENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-14(16)12-6-8-13(9-7-12)15-10(2)17-18(4)11(15)3/h6-9,14H,5,16H2,1-4H3.
What are the key properties of 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine?
1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3,5-trimethylpyrazol-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 54910094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).