3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

C13H25N3O — CID 116757473

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

About 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine

3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (PubChem CID 116757473) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
PubChem CID116757473
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
SMILESCCC(C)(OC)C(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3O/c1-6-13(4,17-5)12(14)9-11-7-8-16(15-11)10(2)3/h7-8,10,12H,6,9,14H2,1-5H3
InChIKeyMIIIVUGJGOXGEK-UHFFFAOYSA-N
XLogP2.15
TPSA53.07 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
3-ethoxy-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116758671
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
[3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105312810
[3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-yl]hydrazine
CID 105271606
3-methoxy-N,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79198374
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116757813
3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine
CID 79063965
N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105239181
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64772269
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine (CID 116757473) is 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine is CCC(C)(OC)C(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
The InChIKey is MIIIVUGJGOXGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-13(4,17-5)12(14)9-11-7-8-16(15-11)10(2)3/h7-8,10,12H,6,9,14H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine?
3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 116757473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).