N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine

C16H29N3O — CID 104611319

IUPACN-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)C1(OC)CCCC1
InChIInChI=1S/C16H29N3O/c1-5-17-15(16(20-4)9-7-8-10-16)12-14-11-13(3)18-19(14)6-2/h11,15,17H,5-10,12H2,1-4H3
InChIKeyPRRCLJNGSMTWNR-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds7

About N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine

N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine (PubChem CID 104611319) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
PubChem CID104611319
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)C1(OC)CCCC1
InChIInChI=1S/C16H29N3O/c1-5-17-15(16(20-4)9-7-8-10-16)12-14-11-13(3)18-19(14)6-2/h11,15,17H,5-10,12H2,1-4H3
InChIKeyPRRCLJNGSMTWNR-UHFFFAOYSA-N
XLogP2.69
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002697
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 116714771
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610827
N-[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 106830290
N-ethyl-1-(1-methoxycyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 104611138
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766289
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
N-ethyl-1-(1-methoxycyclopentyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104611168
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
[2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methyloxolan-2-yl)ethyl]hydrazine
CID 105250684
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
N-ethyl-1-(1-methoxycyclobutyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116714664

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine (CID 104611319) is N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine is CCNC(Cc1cc(C)nn1CC)C1(OC)CCCC1.
What is the InChIKey of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine?
The InChIKey is PRRCLJNGSMTWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-17-15(16(20-4)9-7-8-10-16)12-14-11-13(3)18-19(14)6-2/h11,15,17H,5-10,12H2,1-4H3.
What are the key properties of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine?
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine is sourced from PubChem (CID 104611319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).