1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine

C9H17N3O — CID 79779073

IUPAC1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine
SMILESCC(C)OCCNc1ccn(C)n1
InChIInChI=1S/C9H17N3O/c1-8(2)13-7-5-10-9-4-6-12(3)11-9/h4,6,8H,5,7H2,1-3H3,(H,10,11)
InChIKeySXUBHWUWCJVYJJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.26
Rot. Bonds5

About 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine

1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine (PubChem CID 79779073) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine
PubChem CID79779073
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine
SMILESCC(C)OCCNc1ccn(C)n1
InChIInChI=1S/C9H17N3O/c1-8(2)13-7-5-10-9-4-6-12(3)11-9/h4,6,8H,5,7H2,1-3H3,(H,10,11)
InChIKeySXUBHWUWCJVYJJ-UHFFFAOYSA-N
XLogP1.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.26
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

N-[2-(2-methoxyethoxy)ethyl]-1-methylpyrazol-3-amine
CID 79778277
2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
1-methyl-N-(2-phenylmethoxyethyl)pyrazol-3-amine
CID 130536838
(2R)-1-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 106932300
2-methyl-4-[(1-methylpyrazol-3-yl)amino]butan-2-ol
CID 79779568
N'-(1-methylpyrazol-3-yl)hexane-1,6-diamine
CID 103568574
methyl 4-[(1-methylpyrazol-3-yl)amino]butanoate
CID 79778979
1-methyl-N-[2-(4-methylphenyl)ethyl]pyrazol-3-amine
CID 75517812
1-[(2-methylpropan-2-yl)oxy]-3-[(1-methylpyrazol-3-yl)amino]propan-2-ol
CID 79778676
1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122167062
N-(2-tert-butylsulfonylethyl)-1-methylpyrazol-3-amine
CID 106723990
2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
CID 91444715

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine (CID 79779073) is 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine is CC(C)OCCNc1ccn(C)n1.
What is the InChIKey of 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine?
The InChIKey is SXUBHWUWCJVYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)13-7-5-10-9-4-6-12(3)11-9/h4,6,8H,5,7H2,1-3H3,(H,10,11).
What are the key properties of 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine?
1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine has a molecular weight of 183.25 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-propan-2-yloxyethyl)pyrazol-3-amine is sourced from PubChem (CID 79779073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).