2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

C10H19N3O — CID 66442658

IUPAC2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn[nH]c1C(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)10-9(7-12-13-10)6-11-4-5-14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyGXVSHCWHVIQXLQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.27
Rot. Bonds6

About 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 66442658) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID66442658
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn[nH]c1C(C)C
InChIInChI=1S/C10H19N3O/c1-8(2)10-9(7-12-13-10)6-11-4-5-14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyGXVSHCWHVIQXLQ-UHFFFAOYSA-N
XLogP1.27
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(3,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485108
N-[[5-(furan-2-yl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484773
N-[[5-(2-iodophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485192
4-[4-[(2-methoxyethylamino)methyl]-1H-pyrazol-5-yl]benzonitrile
CID 79485589
4-(2-methylpropyl)-5-propan-2-yl-1H-pyrazole
CID 155459840
N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484935
N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine
CID 63048672
2-methoxy-N-[(2-methyl-6-propan-2-yl-3-pyridinyl)methyl]ethanamine
CID 82452119
2-methoxy-N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484853
N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440552
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
2-methoxy-N-[(2-propyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63109492

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 66442658) is 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is COCCNCc1cn[nH]c1C(C)C.
What is the InChIKey of 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is GXVSHCWHVIQXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)10-9(7-12-13-10)6-11-4-5-14-3/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66442658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).