2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine

C12H17N3 — CID 70170825

IUPAC2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine
SMILESCCCC1C=C(N)NN1c1ccccc1
InChIInChI=1S/C12H17N3/c1-2-6-11-9-12(13)14-15(11)10-7-4-3-5-8-10/h3-5,7-9,11,14H,2,6,13H2,1H3
InChIKeyRBJILGXMMPZULL-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.98
Rot. Bonds3

About 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine

2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine (PubChem CID 70170825) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine
PubChem CID70170825
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine
SMILESCCCC1C=C(N)NN1c1ccccc1
InChIInChI=1S/C12H17N3/c1-2-6-11-9-12(13)14-15(11)10-7-4-3-5-8-10/h3-5,7-9,11,14H,2,6,13H2,1H3
InChIKeyRBJILGXMMPZULL-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine?
The IUPAC name of 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine (CID 70170825) is 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine.
What is the SMILES notation for 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine?
The canonical SMILES for 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine is CCCC1C=C(N)NN1c1ccccc1.
What is the InChIKey of 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine?
The InChIKey is RBJILGXMMPZULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-6-11-9-12(13)14-15(11)10-7-4-3-5-8-10/h3-5,7-9,11,14H,2,6,13H2,1H3.
What are the key properties of 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine?
2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propyl-1,3-dihydropyrazol-5-amine is sourced from PubChem (CID 70170825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).