N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine

C12H23N3O3 — CID 114657568

IUPACN-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(OC)OC
InChIInChI=1S/C12H23N3O3/c1-6-7-13-10(12(17-4)18-5)11-9(16-3)8-14-15(11)2/h8,10,12-13H,6-7H2,1-5H3
InChIKeyXLMMAVIIOSHICH-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.09
Rot. Bonds8

About N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine

N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 114657568) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID114657568
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C(OC)OC
InChIInChI=1S/C12H23N3O3/c1-6-7-13-10(12(17-4)18-5)11-9(16-3)8-14-15(11)2/h8,10,12-13H,6-7H2,1-5H3
InChIKeyXLMMAVIIOSHICH-UHFFFAOYSA-N
XLogP1.09
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105046984
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)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 114656917
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-propylsulfanylethyl]propan-1-amine
CID 114653618
N-[2-(1,3-dioxolan-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 103547224
[1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105245956
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114660191
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine (CID 114657568) is N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(c1c(OC)cnn1C)C(OC)OC.
What is the InChIKey of N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is XLMMAVIIOSHICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-6-7-13-10(12(17-4)18-5)11-9(16-3)8-14-15(11)2/h8,10,12-13H,6-7H2,1-5H3.
What are the key properties of N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 114657568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).