1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine

C14H19N3 — CID 114081519

IUPAC1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCc1c(-c2ccc(CC(C)N)cc2)cnn1C
InChIInChI=1S/C14H19N3/c1-10(15)8-12-4-6-13(7-5-12)14-9-16-17(3)11(14)2/h4-7,9-10H,8,15H2,1-3H3
InChIKeyWXTKOXYGBVVBKI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.29
Rot. Bonds3

About 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine

1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine (PubChem CID 114081519) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine
PubChem CID114081519
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine
SMILESCc1c(-c2ccc(CC(C)N)cc2)cnn1C
InChIInChI=1S/C14H19N3/c1-10(15)8-12-4-6-13(7-5-12)14-9-16-17(3)11(14)2/h4-7,9-10H,8,15H2,1-3H3
InChIKeyWXTKOXYGBVVBKI-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine (CID 114081519) is 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine is Cc1c(-c2ccc(CC(C)N)cc2)cnn1C.
What is the InChIKey of 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine?
The InChIKey is WXTKOXYGBVVBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(15)8-12-4-6-13(7-5-12)14-9-16-17(3)11(14)2/h4-7,9-10H,8,15H2,1-3H3.
What are the key properties of 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine?
1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,5-dimethylpyrazol-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114081519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).