2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine

C16H29N3O — CID 116769741

IUPAC2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
SMILESCCc1cc(CC(N)C2(OC)CCCCCC2)n(C)n1
InChIInChI=1S/C16H29N3O/c1-4-13-11-14(19(2)18-13)12-15(17)16(20-3)9-7-5-6-8-10-16/h11,15H,4-10,12,17H2,1-3H3
InChIKeyWBLQRHJGLUNATJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.59
Rot. Bonds5

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

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine (PubChem CID 116769741) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
PubChem CID116769741
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine
SMILESCCc1cc(CC(N)C2(OC)CCCCCC2)n(C)n1
InChIInChI=1S/C16H29N3O/c1-4-13-11-14(19(2)18-13)12-15(17)16(20-3)9-7-5-6-8-10-16/h11,15H,4-10,12,17H2,1-3H3
InChIKeyWBLQRHJGLUNATJ-UHFFFAOYSA-N
XLogP2.59
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-methoxyoxan-4-yl)ethyl]hydrazine
CID 105276730
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750456
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
N-ethyl-1-(1-ethylcyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999128

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine?
The IUPAC name of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine (CID 116769741) is 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine.
What is the SMILES notation for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine?
The canonical SMILES for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine is CCc1cc(CC(N)C2(OC)CCCCCC2)n(C)n1.
What is the InChIKey of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine?
The InChIKey is WBLQRHJGLUNATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-13-11-14(19(2)18-13)12-15(17)16(20-3)9-7-5-6-8-10-16/h11,15H,4-10,12,17H2,1-3H3.
What are the key properties of 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine?
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-methylpyrazol-5-yl)-1-(1-methoxycycloheptyl)ethanamine is sourced from PubChem (CID 116769741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).