2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine

C16H32N4O — CID 114656917

IUPAC2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1c(OC)cnn1C)C(CC)(CC)N(C)C
InChIInChI=1S/C16H32N4O/c1-8-11-17-15(16(9-2,10-3)19(4)5)14-13(21-7)12-18-20(14)6/h12,15,17H,8-11H2,1-7H3
InChIKeyJCOFDLRZEUTDHA-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.59
Rot. Bonds9

About 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine

2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (PubChem CID 114656917) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
PubChem CID114656917
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
SMILESCCCNC(c1c(OC)cnn1C)C(CC)(CC)N(C)C
InChIInChI=1S/C16H32N4O/c1-8-11-17-15(16(9-2,10-3)19(4)5)14-13(21-7)12-18-20(14)6/h12,15,17H,8-11H2,1-7H3
InChIKeyJCOFDLRZEUTDHA-UHFFFAOYSA-N
XLogP2.59
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine with MolForge

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047085
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
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
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 114661446
2-ethyl-2-N,2-N-dimethyl-1-(1-methylpyrazol-4-yl)-1-N-propylbutane-1,2-diamine
CID 79062553
1-(4-bromo-1-methylpyrazol-5-yl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 114656911
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
N-[(4-methoxy-1-methylpyrazol-5-yl)-(6-methoxypyridazin-3-yl)methyl]propan-1-amine
CID 103374801
N-[1-(4-methoxy-1-methylpyrazol-5-yl)-2-propylsulfanylethyl]propan-1-amine
CID 114653618

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine (CID 114656917) is 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is CCCNC(c1c(OC)cnn1C)C(CC)(CC)N(C)C.
What is the InChIKey of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
The InChIKey is JCOFDLRZEUTDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-8-11-17-15(16(9-2,10-3)19(4)5)14-13(21-7)12-18-20(14)6/h12,15,17H,8-11H2,1-7H3.
What are the key properties of 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine?
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 114656917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).