(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

C17H23N3O — CID 114655860

IUPAC(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)C1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O/c1-3-20-17(15(21-2)11-19-20)16(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-7,11,14,16H,3,8-10,18H2,1-2H3
InChIKeyRZQIXYQYKUFTLQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.72
Rot. Bonds4

About (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 114655860) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID114655860
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESCCn1ncc(OC)c1C(N)C1CCc2ccccc2C1
InChIInChI=1S/C17H23N3O/c1-3-20-17(15(21-2)11-19-20)16(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-7,11,14,16H,3,8-10,18H2,1-2H3
InChIKeyRZQIXYQYKUFTLQ-UHFFFAOYSA-N
XLogP2.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2,3-dihydro-1H-inden-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105234135
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methyloxolan-2-yl)methanamine
CID 105048076
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine
CID 114658855
[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339391
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
[2,3-dihydro-1H-inden-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105234228
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
(4-bromo-1-ethylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methanamine
CID 114655766
(4,4-difluorocyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105187165
(2,6-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanamine
CID 105047710
[5-(methoxymethyl)furan-2-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126586
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 114655860) is (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is CCn1ncc(OC)c1C(N)C1CCc2ccccc2C1.
What is the InChIKey of (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is RZQIXYQYKUFTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20-17(15(21-2)11-19-20)16(18)14-9-8-12-6-4-5-7-13(12)10-14/h4-7,11,14,16H,3,8-10,18H2,1-2H3.
What are the key properties of (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-methoxypyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 114655860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).