1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine

C18H19N3 — CID 107331073

IUPAC1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-2-17(19)14-8-10-15(11-9-14)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-13,17H,2,19H2,1H3
InChIKeyHCRUCWSVPNHREM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.95
Rot. Bonds4

About 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine

1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine (PubChem CID 107331073) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine
PubChem CID107331073
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H19N3/c1-2-17(19)14-8-10-15(11-9-14)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-13,17H,2,19H2,1H3
InChIKeyHCRUCWSVPNHREM-UHFFFAOYSA-N
XLogP3.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine (CID 107331073) is 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine is CCC(N)c1ccc(-c2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine?
The InChIKey is HCRUCWSVPNHREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-17(19)14-8-10-15(11-9-14)18-12-13-20-21(18)16-6-4-3-5-7-16/h3-13,17H,2,19H2,1H3.
What are the key properties of 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine?
1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylpyrazol-3-yl)phenyl]propan-1-amine is sourced from PubChem (CID 107331073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).