3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

C13H25N3O — CID 79198374

IUPAC3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCNC(Cc1ccn(C(C)C)n1)C(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-10(2)16-8-7-11(15-16)9-12(14-5)13(3,4)17-6/h7-8,10,12,14H,9H2,1-6H3
InChIKeyPTVUJUWPDGFLNO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.02
Rot. Bonds6

About 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine

3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (PubChem CID 79198374) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
PubChem CID79198374
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
SMILESCNC(Cc1ccn(C(C)C)n1)C(C)(C)OC
InChIInChI=1S/C13H25N3O/c1-10(2)16-8-7-11(15-16)9-12(14-5)13(3,4)17-6/h7-8,10,12,14H,9H2,1-6H3
InChIKeyPTVUJUWPDGFLNO-UHFFFAOYSA-N
XLogP2.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 79198132
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
[3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105312810
[3-methyl-3-phenyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-yl]hydrazine
CID 105216281
3-ethoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726693
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116757813
N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105239181
3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116757473
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
1-(5-fluoro-2-pyridinyl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79712344
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine (CID 79198374) is 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is CNC(Cc1ccn(C(C)C)n1)C(C)(C)OC.
What is the InChIKey of 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is PTVUJUWPDGFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)16-8-7-11(15-16)9-12(14-5)13(3,4)17-6/h7-8,10,12,14H,9H2,1-6H3.
What are the key properties of 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine?
3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 79198374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).