1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C16H27N5 — CID 103030515

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)c1cc(CC)nn1CC
InChIInChI=1S/C16H27N5/c1-5-13-12-16(21(7-3)19-13)15(17-6-2)9-8-14-10-11-18-20(14)4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyFSYMHRHZLFNNND-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.48
Rot. Bonds8

About 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030515) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030515
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)c1cc(CC)nn1CC
InChIInChI=1S/C16H27N5/c1-5-13-12-16(21(7-3)19-13)15(17-6-2)9-8-14-10-11-18-20(14)4/h10-12,15,17H,5-9H2,1-4H3
InChIKeyFSYMHRHZLFNNND-UHFFFAOYSA-N
XLogP2.48
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030441
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
N-ethyl-1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012068
1-(1,3-diethylpyrazol-5-yl)-N-ethylpent-4-yn-1-amine
CID 105149069
1-(1,3-diethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105127926
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-ethyl-1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009870
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896
N-ethyl-1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030990
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030390
1-(1,3-diethylpyrazol-5-yl)-N-ethylbut-3-en-1-amine
CID 105108095
1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030450

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030515) is 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CCNC(CCc1ccnn1C)c1cc(CC)nn1CC.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is FSYMHRHZLFNNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-13-12-16(21(7-3)19-13)15(17-6-2)9-8-14-10-11-18-20(14)4/h10-12,15,17H,5-9H2,1-4H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).