N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

C15H25N3O — CID 66441961

IUPACN-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(C(C)C2CC2)c1C1CC1
InChIInChI=1S/C15H25N3O/c1-11(12-3-4-12)18-15(13-5-6-13)14(10-17-18)9-16-7-8-19-2/h10-13,16H,3-9H2,1-2H3
InChIKeyWKVGGZYKIBWMRW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds8

About N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66441961) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66441961
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnn(C(C)C2CC2)c1C1CC1
InChIInChI=1S/C15H25N3O/c1-11(12-3-4-12)18-15(13-5-6-13)14(10-17-18)9-16-7-8-19-2/h10-13,16H,3-9H2,1-2H3
InChIKeyWKVGGZYKIBWMRW-UHFFFAOYSA-N
XLogP2.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[1-(1-cyclopropylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440552
1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440958
N-[[5-cyclopropyl-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441422
N-[[1-(1-cyclopropylethyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66442564
N-[(1-butan-2-yl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442755
3-methoxy-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 122166110
N-[(1-cycloheptyl-5-methylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 66442547
(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)methanol
CID 66436592
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846
N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
CID 66440322
2-methoxy-N-[(5-propan-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 66442658
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
CID 122166425

Frequently Asked Questions

What is the IUPAC name of N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66441961) is N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cnn(C(C)C2CC2)c1C1CC1.
What is the InChIKey of N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is WKVGGZYKIBWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(12-3-4-12)18-15(13-5-6-13)14(10-17-18)9-16-7-8-19-2/h10-13,16H,3-9H2,1-2H3.
What are the key properties of N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66441961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).