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

C9H17N3O — CID 43663465

IUPAC1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cn[nH]c1C
InChIInChI=1S/C9H17N3O/c1-7(6-13-3)10-4-9-5-11-12-8(9)2/h5,7,10H,4,6H2,1-3H3,(H,11,12)
InChIKeyHCANRIVYHPMZBD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds5

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

1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 43663465) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID43663465
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1cn[nH]c1C
InChIInChI=1S/C9H17N3O/c1-7(6-13-3)10-4-9-5-11-12-8(9)2/h5,7,10H,4,6H2,1-3H3,(H,11,12)
InChIKeyHCANRIVYHPMZBD-UHFFFAOYSA-N
XLogP0.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 43663465) is 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is COCC(C)NCc1cn[nH]c1C.
What is the InChIKey of 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is HCANRIVYHPMZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(6-13-3)10-4-9-5-11-12-8(9)2/h5,7,10H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 183.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 43663465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).