1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine

C13H25N3O — CID 114663877

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
SMILESCCCn1ncc(OC)c1CCC(N)C(C)C
InChIInChI=1S/C13H25N3O/c1-5-8-16-12(13(17-4)9-15-16)7-6-11(14)10(2)3/h9-11H,5-8,14H2,1-4H3
InChIKeyZPANJTJYJVFQHW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.22
Rot. Bonds7

About 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine

1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine (PubChem CID 114663877) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
PubChem CID114663877
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
SMILESCCCn1ncc(OC)c1CCC(N)C(C)C
InChIInChI=1S/C13H25N3O/c1-5-8-16-12(13(17-4)9-15-16)7-6-11(14)10(2)3/h9-11H,5-8,14H2,1-4H3
InChIKeyZPANJTJYJVFQHW-UHFFFAOYSA-N
XLogP2.22
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-4-methylpentyl)-4-methoxy-1-propylpyrazole
CID 114665454
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665013
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114663919
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
1-(4-methoxy-1-methylpyrazol-5-yl)pentan-3-amine
CID 114663864
2-(4-methoxy-1-propylpyrazol-5-yl)acetaldehyde
CID 114662451
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
5-(3-bromo-4-methylpentyl)-4-methoxy-1-methylpyrazole
CID 114665460
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
[1-(4-methoxy-1-propylpyrazol-5-yl)-2,3-dimethylbutyl]hydrazine
CID 105339861
[1-(4-methoxy-1-propylpyrazol-5-yl)-3-methyl-2-propan-2-ylbutyl]hydrazine
CID 114282170
N-[(4-methoxy-1-propylpyrazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114652183

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine (CID 114663877) is 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine is CCCn1ncc(OC)c1CCC(N)C(C)C.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine?
The InChIKey is ZPANJTJYJVFQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-8-16-12(13(17-4)9-15-16)7-6-11(14)10(2)3/h9-11H,5-8,14H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine?
1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine has a molecular weight of 239.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine is sourced from PubChem (CID 114663877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).