N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine

C18H21N3 — CID 102803470

IUPACN-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1cn(C)nc1C)c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-4-19-18(17-12-21(3)20-13(17)2)16-11-7-9-14-8-5-6-10-15(14)16/h5-12,18-19H,4H2,1-3H3
InChIKeyFHGPMJGFIVXBFJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.58
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine

N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine (PubChem CID 102803470) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
PubChem CID102803470
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1cn(C)nc1C)c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-4-19-18(17-12-21(3)20-13(17)2)16-11-7-9-14-8-5-6-10-15(14)16/h5-12,18-19H,4H2,1-3H3
InChIKeyFHGPMJGFIVXBFJ-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)-isoquinolin-5-ylmethyl]ethanamine
CID 102803545
N-[2,3-dihydro-1-benzofuran-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804629
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 43492495
N-[(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
CID 102803050
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
N-[(1,3-dimethylpyrazol-4-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 102804517
N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
CID 105141334
N-[(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804284
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 102803589
N-[(1,3-dimethylpyrazol-4-yl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 102803704

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine (CID 102803470) is N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine is CCNC(c1cn(C)nc1C)c1cccc2ccccc12.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
The InChIKey is FHGPMJGFIVXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-4-19-18(17-12-21(3)20-13(17)2)16-11-7-9-14-8-5-6-10-15(14)16/h5-12,18-19H,4H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine is sourced from PubChem (CID 102803470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).