N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine

C18H21N3 — CID 62716593

IUPACN-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C18H21N3/c1-3-10-21-13-17(12-20-21)18(19-2)16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11-13,18-19H,3,10H2,1-2H3
InChIKeyXXVODTVBIXWZLC-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.76
Rot. Bonds5

About N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine

N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 62716593) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID62716593
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C18H21N3/c1-3-10-21-13-17(12-20-21)18(19-2)16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11-13,18-19H,3,10H2,1-2H3
InChIKeyXXVODTVBIXWZLC-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

1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807987
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807684
N-[(1-ethylpyrazol-4-yl)-naphthalen-2-ylmethyl]ethanamine
CID 62717263
1-(4-bromo-3-fluorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807266
1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
1-(2-tert-butylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808315
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808288
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 105103609
N-methyl-1-(5-methylfuran-2-yl)-1-(1-propylpyrazol-4-yl)methanamine
CID 115807050

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine (CID 62716593) is N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2ccc3ccccc3c2)cn1.
What is the InChIKey of N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is XXVODTVBIXWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-10-21-13-17(12-20-21)18(19-2)16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11-13,18-19H,3,10H2,1-2H3.
What are the key properties of N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine?
N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine 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-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 62716593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).