1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine

C12H21N3O — CID 116722205

IUPAC1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1cnn(C)c1)C(OC)C1CC1
InChIInChI=1S/C12H21N3O/c1-13-11(12(16-3)10-4-5-10)6-9-7-14-15(2)8-9/h7-8,10-13H,4-6H2,1-3H3
InChIKeyRFIZUIYMJQUWMQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds6

About 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine

1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 116722205) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID116722205
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1cnn(C)c1)C(OC)C1CC1
InChIInChI=1S/C12H21N3O/c1-13-11(12(16-3)10-4-5-10)6-9-7-14-15(2)8-9/h7-8,10-13H,4-6H2,1-3H3
InChIKeyRFIZUIYMJQUWMQ-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65403165
1-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)-1-methoxy-N-methylpropan-2-amine
CID 116722108
1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine
CID 116773579
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-cyclohexyl-3-(furan-3-yl)-1-methoxy-N-methylpropan-2-amine
CID 116771472
[2-cyclopropyl-2-methoxy-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105272675
3-(3-bromo-4-methoxyphenyl)-1-cyclopropyl-1-methoxy-N-methylpropan-2-amine
CID 116722235

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 116722205) is 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine is CNC(Cc1cnn(C)c1)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is RFIZUIYMJQUWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-13-11(12(16-3)10-4-5-10)6-9-7-14-15(2)8-9/h7-8,10-13H,4-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine?
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 116722205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).