N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine

C18H21N3 — CID 62717263

IUPACN-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1cnn(CC)c1
InChIInChI=1S/C18H21N3/c1-3-19-18(17-12-20-21(4-2)13-17)16-10-9-14-7-5-6-8-15(14)11-16/h5-13,18-19H,3-4H2,1-2H3
InChIKeyKNDOICCNTCJSNM-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.76
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine

N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine (PubChem CID 62717263) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
PubChem CID62717263
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2c1)c1cnn(CC)c1
InChIInChI=1S/C18H21N3/c1-3-19-18(17-12-20-21(4-2)13-17)16-10-9-14-7-5-6-8-15(14)11-16/h5-13,18-19H,3-4H2,1-2H3
InChIKeyKNDOICCNTCJSNM-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
CID 115815706
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
4-[ethylamino-(1-ethylpyrazol-4-yl)methyl]-N,N-dimethylaniline
CID 105109386
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945
N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105108938
N-[(3,4-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807966
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(5-methylthiophen-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 43488213

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine (CID 62717263) is N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2c1)c1cnn(CC)c1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine?
The InChIKey is KNDOICCNTCJSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-19-18(17-12-20-21(4-2)13-17)16-10-9-14-7-5-6-8-15(14)11-16/h5-13,18-19H,3-4H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine?
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine is sourced from PubChem (CID 62717263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).