1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine

C18H21N3 — CID 105131039

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine
SMILESCNC(Cc1cccc2ccccc12)c1cnn(C)c1C
InChIInChI=1S/C18H21N3/c1-13-17(12-20-21(13)3)18(19-2)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12,18-19H,11H2,1-3H3
InChIKeySCBSKBBTCVWZPM-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.38
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine (PubChem CID 105131039) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine
PubChem CID105131039
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine
SMILESCNC(Cc1cccc2ccccc12)c1cnn(C)c1C
InChIInChI=1S/C18H21N3/c1-13-17(12-20-21(13)3)18(19-2)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12,18-19H,11H2,1-3H3
InChIKeySCBSKBBTCVWZPM-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105100937
N-methyl-2-naphthalen-1-yl-1-pyrimidin-5-ylethanamine
CID 105118515
N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
CID 65200268
2-(3,4-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105136491
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
1-(1,5-dimethylpyrazol-4-yl)-2-quinolin-4-ylethanol
CID 79584284
N-[1-(1,5-dimethylpyrazol-4-yl)-2-(2-methoxyphenyl)ethyl]propan-1-amine
CID 105107339
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-(1,5-dimethylpyrazol-4-yl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylethanamine
CID 105174084
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
1-(1,5-dimethylpyrazol-4-yl)-N-methylhex-5-yn-1-amine
CID 105179535
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine (CID 105131039) is 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine is CNC(Cc1cccc2ccccc12)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine?
The InChIKey is SCBSKBBTCVWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-13-17(12-20-21(13)3)18(19-2)11-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12,18-19H,11H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-methyl-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 105131039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).