2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine

C15H29N3 — CID 82693268

IUPAC2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)n1nc(CC)cc1CC
InChIInChI=1S/C15H29N3/c1-6-10-16-15(9-4)12(5)18-14(8-3)11-13(7-2)17-18/h11-12,15-16H,6-10H2,1-5H3
InChIKeyFCRODEGSWZPXRS-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.35
Rot. Bonds8

About 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine

2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine (PubChem CID 82693268) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine
PubChem CID82693268
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)n1nc(CC)cc1CC
InChIInChI=1S/C15H29N3/c1-6-10-16-15(9-4)12(5)18-14(8-3)11-13(7-2)17-18/h11-12,15-16H,6-10H2,1-5H3
InChIKeyFCRODEGSWZPXRS-UHFFFAOYSA-N
XLogP3.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-diethylpyrazol-1-yl)-2-methyl-N-propylbutan-1-amine
CID 82695051
3-(3,5-diethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 82694867
1-(3-ethyl-1-methylpyrazol-5-yl)-N,3-dipropylhexan-2-amine
CID 104999036
6-(3,5-diethylpyrazol-1-yl)-N-propylhexan-3-amine
CID 106800552
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4-methyl-N-propylpentan-2-amine
CID 116720461
1-(1,3-diethylpyrazol-5-yl)-3-methylsulfonyl-N-propylbutan-2-amine
CID 105001567
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
methyl (2S)-2-(3,5-diethylpyrazol-1-yl)propanoate
CID 107427779
2-(3,5-diethylpyrazol-1-yl)-N-methylpentan-1-amine
CID 83044068
2-(3,5-diethylpyrazol-1-yl)propanehydrazide
CID 82699658
2-(6-ethylpyrimidin-4-yl)-N-propylpentan-3-amine
CID 63559776
3-amino-2-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82693019

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine?
The IUPAC name of 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine (CID 82693268) is 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine?
The canonical SMILES for 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine is CCCNC(CC)C(C)n1nc(CC)cc1CC.
What is the InChIKey of 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine?
The InChIKey is FCRODEGSWZPXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-10-16-15(9-4)12(5)18-14(8-3)11-13(7-2)17-18/h11-12,15-16H,6-10H2,1-5H3.
What are the key properties of 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine?
2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine has a molecular weight of 251.42 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethylpyrazol-1-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 82693268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).