4,5-diphenyl-N-propyl-1H-pyrazol-3-amine

C18H19N3 — CID 12931069

IUPAC4,5-diphenyl-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1n[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-2-13-19-18-16(14-9-5-3-6-10-14)17(20-21-18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H2,19,20,21)
InChIKeyLJBAYYUSMMYUAD-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.57
Rot. Bonds5

About 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine

4,5-diphenyl-N-propyl-1H-pyrazol-3-amine (PubChem CID 12931069) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-diphenyl-N-propyl-1H-pyrazol-3-amine
PubChem CID12931069
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4,5-diphenyl-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1n[nH]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-2-13-19-18-16(14-9-5-3-6-10-14)17(20-21-18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H2,19,20,21)
InChIKeyLJBAYYUSMMYUAD-UHFFFAOYSA-N
XLogP4.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine (CID 12931069) is 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine is CCCNc1n[nH]c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine?
The InChIKey is LJBAYYUSMMYUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-13-19-18-16(14-9-5-3-6-10-14)17(20-21-18)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H2,19,20,21).
What are the key properties of 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine?
4,5-diphenyl-N-propyl-1H-pyrazol-3-amine has a molecular weight of 277.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 12931069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).