N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine

C16H29N3O — CID 116770400

IUPACN-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1(OC)CCCCCC1
InChIInChI=1S/C16H29N3O/c1-4-17-15(14-10-13-18-19(14)5-2)16(20-3)11-8-6-7-9-12-16/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyJEEGKELFLBHFMM-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.29
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine

N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine (PubChem CID 116770400) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
PubChem CID116770400
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
SMILESCCNC(c1ccnn1CC)C1(OC)CCCCCC1
InChIInChI=1S/C16H29N3O/c1-4-17-15(14-10-13-18-19(14)5-2)16(20-3)11-8-6-7-9-12-16/h10,13,15,17H,4-9,11-12H2,1-3H3
InChIKeyJEEGKELFLBHFMM-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
1-(1-methoxycyclopentyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 104610857
N-[(4-bromo-1-ethylpyrazol-5-yl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 114661811
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831218
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243858
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684949
1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063591
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
2-cycloheptyl-N-ethyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 115858127

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine (CID 116770400) is N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine is CCNC(c1ccnn1CC)C1(OC)CCCCCC1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine?
The InChIKey is JEEGKELFLBHFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-17-15(14-10-13-18-19(14)5-2)16(20-3)11-8-6-7-9-12-16/h10,13,15,17H,4-9,11-12H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine?
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine is sourced from PubChem (CID 116770400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).