3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine

C12H15N3 — CID 105453769

IUPAC3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
SMILESNCCCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C12H15N3/c13-8-4-7-11-9-14-15-12(11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,13H2,(H,14,15)
InChIKeyBSGFDCQJTBDFOH-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.97
Rot. Bonds4

About 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine

3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine (PubChem CID 105453769) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
PubChem CID105453769
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine
SMILESNCCCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C12H15N3/c13-8-4-7-11-9-14-15-12(11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,13H2,(H,14,15)
InChIKeyBSGFDCQJTBDFOH-UHFFFAOYSA-N
XLogP1.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propan-1-amine
CID 105474025
3-(5-phenyl-1H-pyrazol-4-yl)propanamide
CID 121212688
3-(5-phenyl-1H-pyrazol-4-yl)propanoic acid
CID 23006026
3-(5-phenyl-1H-pyrazol-4-yl)propanenitrile
CID 121212690
2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]ethanamine
CID 23005889
3-(5-fluoro-1H-pyrazol-4-yl)propan-1-amine
CID 115011513
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine;trihydrochloride
CID 53444369
N-benzyl-2-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 3914171
1-ethyl-4-methoxybenzene;(5-phenyl-1H-pyrazol-4-yl)methanamine
CID 143794069
N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 166195819
1-(2-chlorophenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 60662974

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine (CID 105453769) is 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine is NCCCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is BSGFDCQJTBDFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-8-4-7-11-9-14-15-12(11)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,13H2,(H,14,15).
What are the key properties of 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine?
3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105453769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).