1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine

C13H25N3O — CID 114255501

IUPAC1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(OC)n(C)n1)C(C)CC
InChIInChI=1S/C13H25N3O/c1-6-8-14-13(10(3)7-2)11-9-12(17-5)16(4)15-11/h9-10,13-14H,6-8H2,1-5H3
InChIKeyOVIOAUABRNOLPI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds7

About 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine

1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 114255501) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID114255501
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(OC)n(C)n1)C(C)CC
InChIInChI=1S/C13H25N3O/c1-6-8-14-13(10(3)7-2)11-9-12(17-5)16(4)15-11/h9-10,13-14H,6-8H2,1-5H3
InChIKeyOVIOAUABRNOLPI-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-diethyl-1-(5-methoxy-1-methylpyrazol-3-yl)butan-1-amine
CID 114255492
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
1-(5-methoxy-1-methylpyrazol-3-yl)-N,3-dimethylhexan-1-amine
CID 114255397
1-(3-ethyl-1-methylpyrazol-5-yl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185155
N-[cyclopentyl-(5-methoxy-1-methylpyrazol-3-yl)methyl]ethanamine
CID 114255317
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
2-(butan-2-ylamino)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 114255909
(2S)-2-amino-N-(5-methoxy-1-methylpyrazol-3-yl)-3-methylpentanamide
CID 114255933
N-ethyl-1-(5-methoxy-1-methylpyrazol-3-yl)-4-methylpent-4-en-1-amine
CID 114255542
1-(3,4-dichlorophenyl)-2-methyl-N-propylbutan-1-amine
CID 43497568
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114651746
1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
CID 80533794

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine (CID 114255501) is 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(OC)n(C)n1)C(C)CC.
What is the InChIKey of 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is OVIOAUABRNOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-8-14-13(10(3)7-2)11-9-12(17-5)16(4)15-11/h9-10,13-14H,6-8H2,1-5H3.
What are the key properties of 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine?
1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1-methylpyrazol-3-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 114255501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).