N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

C16H27N5 — CID 105114437

IUPACN-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)c1cc(C)nn1CC
InChIInChI=1S/C16H27N5/c1-5-8-17-15(10-14-11-18-20(6-2)12-14)16-9-13(4)19-21(16)7-3/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyHAGWVGNUMOSMAK-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.71
Rot. Bonds8

About N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 105114437) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID105114437
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)c1cc(C)nn1CC
InChIInChI=1S/C16H27N5/c1-5-8-17-15(10-14-11-18-20(6-2)12-14)16-9-13(4)19-21(16)7-3/h9,11-12,15,17H,5-8,10H2,1-4H3
InChIKeyHAGWVGNUMOSMAK-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113696
N-[2-(4-chlorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105085268
[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105291184
N-[1-(3,5-dichlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822802
1-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpent-4-yn-1-amine
CID 105149010
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
N-[1-(2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79517743
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609
N-[2-(1-ethylpyrazol-4-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62126619
N-[1-(3-chloro-2-methylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 107102137

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (CID 105114437) is N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(CC)c1)c1cc(C)nn1CC.
What is the InChIKey of N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is HAGWVGNUMOSMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-5-8-17-15(10-14-11-18-20(6-2)12-14)16-9-13(4)19-21(16)7-3/h9,11-12,15,17H,5-8,10H2,1-4H3.
What are the key properties of N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-5-methylpyrazol-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105114437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).