2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

C15H21N3 — CID 65431517

IUPAC2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)n1ccc(CC(CN)c2ccccc2)n1
InChIInChI=1S/C15H21N3/c1-12(2)18-9-8-15(17-18)10-14(11-16)13-6-4-3-5-7-13/h3-9,12,14H,10-11,16H2,1-2H3
InChIKeyOQXAGSDYDPLBJW-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.75
Rot. Bonds5

About 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 65431517) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID65431517
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)n1ccc(CC(CN)c2ccccc2)n1
InChIInChI=1S/C15H21N3/c1-12(2)18-9-8-15(17-18)10-14(11-16)13-6-4-3-5-7-13/h3-9,12,14H,10-11,16H2,1-2H3
InChIKeyOQXAGSDYDPLBJW-UHFFFAOYSA-N
XLogP2.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441071
N-[2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propyl]cyclopropanamine
CID 65430604
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 104990126
3-(3-chloro-2-phenylpropyl)-1-pentan-3-ylpyrazole
CID 66036141
2-(1-propan-2-ylpyrazol-3-yl)-1-pyridin-3-ylethanamine
CID 64772979
2-(4-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 79430125
2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773195
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
2-(4-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441726
1-(1-benzothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104989989
2-(3-bromophenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79443065

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 65431517) is 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is CC(C)n1ccc(CC(CN)c2ccccc2)n1.
What is the InChIKey of 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is OQXAGSDYDPLBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)18-9-8-15(17-18)10-14(11-16)13-6-4-3-5-7-13/h3-9,12,14H,10-11,16H2,1-2H3.
What are the key properties of 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 65431517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).