1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine

C15H29N3O — CID 105046852

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1c(OC)cnn1C
InChIInChI=1S/C15H29N3O/c1-5-6-7-8-9-10-11-13(16-2)15-14(19-4)12-17-18(15)3/h12-13,16H,5-11H2,1-4H3
InChIKeyPCSXLKQLAHPTIQ-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.44
Rot. Bonds10

About 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine (PubChem CID 105046852) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
PubChem CID105046852
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1c(OC)cnn1C
InChIInChI=1S/C15H29N3O/c1-5-6-7-8-9-10-11-13(16-2)15-14(19-4)12-17-18(15)3/h12-13,16H,5-11H2,1-4H3
InChIKeyPCSXLKQLAHPTIQ-UHFFFAOYSA-N
XLogP3.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 103149365
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylnonan-1-amine
CID 105054424

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine (CID 105046852) is 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine is CCCCCCCCC(NC)c1c(OC)cnn1C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
The InChIKey is PCSXLKQLAHPTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-6-7-8-9-10-11-13(16-2)15-14(19-4)12-17-18(15)3/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine is sourced from PubChem (CID 105046852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).