1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine

C16H30ClN3O — CID 116758165

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1C)C(C)(CC)OC
InChIInChI=1S/C16H30ClN3O/c1-7-10-18-14(16(4,9-3)21-6)11-13-15(17)12(8-2)19-20(13)5/h14,18H,7-11H2,1-6H3
InChIKeyODKVYVGBFHWWSO-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.36
Rot. Bonds9

About 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine (PubChem CID 116758165) has the molecular formula C16H30ClN3O and a molecular weight of 315.89 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine
PubChem CID116758165
Molecular FormulaC16H30ClN3O
Molecular Weight315.89 g/mol
Exact Mass315.21
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(Cl)c(CC)nn1C)C(C)(CC)OC
InChIInChI=1S/C16H30ClN3O/c1-7-10-18-14(16(4,9-3)21-6)11-13-15(17)12(8-2)19-20(13)5/h14,18H,7-11H2,1-6H3
InChIKeyODKVYVGBFHWWSO-UHFFFAOYSA-N
XLogP3.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79047262
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719549
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959281
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-propoxy-N-propylbutan-2-amine
CID 105159851
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropyl-N-propylbutan-2-amine
CID 104998602
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159793
4-chloro-5-[2-(chloromethyl)-3,3-dimethylbutyl]-3-ethyl-1-methylpyrazole
CID 83143178
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79047030
1-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757908
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 104996518
N-[1-(5-bromothiophen-3-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 105159905

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine (CID 116758165) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1c(Cl)c(CC)nn1C)C(C)(CC)OC.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
The InChIKey is ODKVYVGBFHWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClN3O/c1-7-10-18-14(16(4,9-3)21-6)11-13-15(17)12(8-2)19-20(13)5/h14,18H,7-11H2,1-6H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine has a molecular weight of 315.89 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116758165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).