N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

C17H31N3 — CID 115822846

IUPACN-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)C1(CC)CCCC1
InChIInChI=1S/C17H31N3/c1-4-11-18-16(17(5-2)9-7-8-10-17)12-15-13-19-20(6-3)14-15/h13-14,16,18H,4-12H2,1-3H3
InChIKeyYCXUBEFMQZPCFN-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.78
Rot. Bonds8

About N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115822846) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115822846
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cnn(CC)c1)C1(CC)CCCC1
InChIInChI=1S/C17H31N3/c1-4-11-18-16(17(5-2)9-7-8-10-17)12-15-13-19-20(6-3)14-15/h13-14,16,18H,4-12H2,1-3H3
InChIKeyYCXUBEFMQZPCFN-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115816322
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115822926
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
N-[1-(1-methoxycycloheptyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116770459
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
CID 116759325
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclopentyl)ethanamine
CID 115822094
1-(1-ethylcyclopentyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 115816143
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
2-(1-ethylpyrazol-4-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106829887
1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79061750

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (CID 115822846) is N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cnn(CC)c1)C1(CC)CCCC1.
What is the InChIKey of N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is YCXUBEFMQZPCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-11-18-16(17(5-2)9-7-8-10-17)12-15-13-19-20(6-3)14-15/h13-14,16,18H,4-12H2,1-3H3.
What are the key properties of N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115822846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).