N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine

C13H17N3 — CID 141401683

IUPACN-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
SMILESCNCCC(c1ccccc1)n1cccn1
InChIInChI=1S/C13H17N3/c1-14-10-8-13(16-11-5-9-15-16)12-6-3-2-4-7-12/h2-7,9,11,13-14H,8,10H2,1H3
InChIKeyIZJDJQGVNDCIGV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.08
Rot. Bonds5

About N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine

N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine (PubChem CID 141401683) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
PubChem CID141401683
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine
SMILESCNCCC(c1ccccc1)n1cccn1
InChIInChI=1S/C13H17N3/c1-14-10-8-13(16-11-5-9-15-16)12-6-3-2-4-7-12/h2-7,9,11,13-14H,8,10H2,1H3
InChIKeyIZJDJQGVNDCIGV-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine (CID 141401683) is N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine is CNCCC(c1ccccc1)n1cccn1.
What is the InChIKey of N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is IZJDJQGVNDCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-10-8-13(16-11-5-9-15-16)12-6-3-2-4-7-12/h2-7,9,11,13-14H,8,10H2,1H3.
What are the key properties of N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine?
N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 141401683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).