7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3O — CID 103905307

IUPAC7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)c1cn[nH]c1)CCC2
InChIInChI=1S/C16H21N3O/c1-11(13-9-17-18-10-13)19-16-5-3-4-12-6-7-14(20-2)8-15(12)16/h6-11,16,19H,3-5H2,1-2H3,(H,17,18)
InChIKeyMRZSTXCDZKEJCG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds4

About 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 103905307) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID103905307
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)C(NC(C)c1cn[nH]c1)CCC2
InChIInChI=1S/C16H21N3O/c1-11(13-9-17-18-10-13)19-16-5-3-4-12-6-7-14(20-2)8-15(12)16/h6-11,16,19H,3-5H2,1-2H3,(H,17,18)
InChIKeyMRZSTXCDZKEJCG-UHFFFAOYSA-N
XLogP3.15
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239504
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 103905252
6-methoxy-N-[(1R)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81395323
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 79238997
N-[1-(1H-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 113349222
N-[1-(5-chlorothiophen-2-yl)ethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79230486
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-4-methylpentan-1-ol
CID 79238909
N-[1-(1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 106209453
7-methoxy-N-(1-methoxybutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248596
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103905296
2-iodo-N-[1-(1H-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106209184
N-heptan-2-yl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239668

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 103905307) is 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)C(NC(C)c1cn[nH]c1)CCC2.
What is the InChIKey of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MRZSTXCDZKEJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(13-9-17-18-10-13)19-16-5-3-4-12-6-7-14(20-2)8-15(12)16/h6-11,16,19H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 103905307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).