1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine

C20H31N3 — CID 82700730

IUPAC1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(CC)nn(Cc2ccccc2)c1CC
InChIInChI=1S/C20H31N3/c1-5-14-21-17(6-2)20-18(7-3)22-23(19(20)8-4)15-16-12-10-9-11-13-16/h9-13,17,21H,5-8,14-15H2,1-4H3
InChIKeyZYRZTALTBSWQDU-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.51
Rot. Bonds9

About 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine

1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 82700730) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID82700730
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(CC)nn(Cc2ccccc2)c1CC
InChIInChI=1S/C20H31N3/c1-5-14-21-17(6-2)20-18(7-3)22-23(19(20)8-4)15-16-12-10-9-11-13-16/h9-13,17,21H,5-8,14-15H2,1-4H3
InChIKeyZYRZTALTBSWQDU-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
1-[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]ethanol
CID 82698546
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
4-(1-chloropropyl)-3,5-diethyl-1-[(4-iodophenyl)methyl]pyrazole
CID 82699488
N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
CID 82697652
1-(1-benzyl-3,5-diethylpyrazol-4-yl)ethanone
CID 82697978
N-[(1-benzyl-3,5-diethylpyrazol-4-yl)methyl]-2-chloroacetamide
CID 146094539
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698540
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine (CID 82700730) is 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(CC)c1c(CC)nn(Cc2ccccc2)c1CC.
What is the InChIKey of 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is ZYRZTALTBSWQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-5-14-21-17(6-2)20-18(7-3)22-23(19(20)8-4)15-16-12-10-9-11-13-16/h9-13,17,21H,5-8,14-15H2,1-4H3.
What are the key properties of 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine?
1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 313.49 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 82700730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).