1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine

C13H25N3O — CID 114651756

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(C)CC
InChIInChI=1S/C13H25N3O/c1-6-8-14-12(10(3)7-2)13-11(17-5)9-15-16(13)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyFIROFLJCIWKIIY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds7

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine

1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 114651756) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID114651756
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(C)CC
InChIInChI=1S/C13H25N3O/c1-6-8-14-12(10(3)7-2)13-11(17-5)9-15-16(13)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyFIROFLJCIWKIIY-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-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114657568
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105046984
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114651746
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 114661446
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpentyl]hydrazine
CID 105339107
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylbutan-1-amine
CID 114651722
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105047733
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine (CID 114651756) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1c(OC)cnn1C)C(C)CC.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is FIROFLJCIWKIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-8-14-12(10(3)7-2)13-11(17-5)9-15-16(13)4/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine?
1-(4-methoxy-1-methylpyrazol-5-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-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 114651756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).