N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3 — CID 115419104

IUPACN-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1n1cccn1
InChIInChI=1S/C16H21N3/c1-3-17-16-14-8-5-4-7-13(14)12(2)11-15(16)19-10-6-9-18-19/h4-10,12,15-17H,3,11H2,1-2H3
InChIKeyDSLDXPDOMQTMQW-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.28
Rot. Bonds3

About N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115419104) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115419104
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2C(C)CC1n1cccn1
InChIInChI=1S/C16H21N3/c1-3-17-16-14-8-5-4-7-13(14)12(2)11-15(16)19-10-6-9-18-19/h4-10,12,15-17H,3,11H2,1-2H3
InChIKeyDSLDXPDOMQTMQW-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115419104) is N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2C(C)CC1n1cccn1.
What is the InChIKey of N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DSLDXPDOMQTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-17-16-14-8-5-4-7-13(14)12(2)11-15(16)19-10-6-9-18-19/h4-10,12,15-17H,3,11H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-pyrazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115419104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).