1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine

C16H23N3 — CID 105093971

IUPAC1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
SMILESCCc1cc(C(N)CCc2ccccc2)n(CC)n1
InChIInChI=1S/C16H23N3/c1-3-14-12-16(19(4-2)18-14)15(17)11-10-13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11,17H2,1-2H3
InChIKeyWLYATUQPENCOJV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds6

About 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine

1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine (PubChem CID 105093971) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
PubChem CID105093971
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
SMILESCCc1cc(C(N)CCc2ccccc2)n(CC)n1
InChIInChI=1S/C16H23N3/c1-3-14-12-16(19(4-2)18-14)15(17)11-10-13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11,17H2,1-2H3
InChIKeyWLYATUQPENCOJV-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Difenzoquat
CID 39425
3,5-Dimethyl-1-(phenylmethyl)-1H-pyrazol-4-amine
CID 206697
1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
E-55888
CID 24825775
MK-1925
CID 44178080
2-Cyclobutyl-3-(4-fluoro-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11312173
2-Isopropyl-3-p-tolyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11323169
1-Methyl-3-phenyl-1H-pyrazole
CID 137946
(1-methyl-1H-pyrazol-5-yl)(phenyl)methanamine
CID 43817898
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine (CID 105093971) is 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine is CCc1cc(C(N)CCc2ccccc2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine?
The InChIKey is WLYATUQPENCOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-14-12-16(19(4-2)18-14)15(17)11-10-13-8-6-5-7-9-13/h5-9,12,15H,3-4,10-11,17H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 105093971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).