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

C13H24ClN3O — CID 116715572

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine
SMILESCCc1nn(C)c(CC(NC)C(CC)OC)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-6-9-13(14)11(17(4)16-9)8-10(15-3)12(7-2)18-5/h10,12,15H,6-8H2,1-5H3
InChIKeyJXWZFVMANPBCCA-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.19
Rot. Bonds7

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

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine (PubChem CID 116715572) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine
PubChem CID116715572
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine
SMILESCCc1nn(C)c(CC(NC)C(CC)OC)c1Cl
InChIInChI=1S/C13H24ClN3O/c1-6-9-13(14)11(17(4)16-9)8-10(15-3)12(7-2)18-5/h10,12,15H,6-8H2,1-5H3
InChIKeyJXWZFVMANPBCCA-UHFFFAOYSA-N
XLogP2.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719549
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492035
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105159803
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346379
[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271455
4-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 81012559
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylhexan-2-amine
CID 104998438
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168933
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093475
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105159919
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159793

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine (CID 116715572) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine is CCc1nn(C)c(CC(NC)C(CC)OC)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine?
The InChIKey is JXWZFVMANPBCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-6-9-13(14)11(17(4)16-9)8-10(15-3)12(7-2)18-5/h10,12,15H,6-8H2,1-5H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-N-methylpentan-2-amine has a molecular weight of 273.81 g/mol, XLogP of 2.19, 7 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-N-methylpentan-2-amine is sourced from PubChem (CID 116715572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).