N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine

C17H19N3 — CID 78921020

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
SMILESCC(NCc1ccn(C)n1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3/c1-13(18-12-17-9-10-20(2)19-17)15-8-7-14-5-3-4-6-16(14)11-15/h3-11,13,18H,12H2,1-2H3
InChIKeyZAHFDGIIVDSHRY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.42
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine

N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine (PubChem CID 78921020) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
PubChem CID78921020
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine
SMILESCC(NCc1ccn(C)n1)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3/c1-13(18-12-17-9-10-20(2)19-17)15-8-7-14-5-3-4-6-16(14)11-15/h3-11,13,18H,12H2,1-2H3
InChIKeyZAHFDGIIVDSHRY-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696
1-(1-benzothiophen-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 115617554
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
(1R)-1-(furan-2-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867029
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78921673
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
1,5-dimethyl-4-[[[(1R)-1-naphthalen-2-ylethyl]amino]methyl]pyrrole-2-carbonitrile
CID 41272010
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine (CID 78921020) is N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine is CC(NCc1ccn(C)n1)c1ccc2ccccc2c1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine?
The InChIKey is ZAHFDGIIVDSHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(18-12-17-9-10-20(2)19-17)15-8-7-14-5-3-4-6-16(14)11-15/h3-11,13,18H,12H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine?
N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 78921020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).