1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine

C16H31ClN4 — CID 114656930

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C16H31ClN4/c1-7-16(8-2,20(9-3)10-4)15(18-6)14-13(17)12-19-21(14)11-5/h12,15,18H,7-11H2,1-6H3
InChIKeyJWXSIYZGOBNEHZ-UHFFFAOYSA-N
MW314.91 g/mol
LogP3.72
Rot. Bonds9

About 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine

1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine (PubChem CID 114656930) has the molecular formula C16H31ClN4 and a molecular weight of 314.91 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
PubChem CID114656930
Molecular FormulaC16H31ClN4
Molecular Weight314.91 g/mol
Exact Mass314.22
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
SMILESCCN(CC)C(CC)(CC)C(NC)c1c(Cl)cnn1CC
InChIInChI=1S/C16H31ClN4/c1-7-16(8-2,20(9-3)10-4)15(18-6)14-13(17)12-19-21(14)11-5/h12,15,18H,7-11H2,1-6H3
InChIKeyJWXSIYZGOBNEHZ-UHFFFAOYSA-N
XLogP3.72
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine with MolForge

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 114656801
1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 114656808
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
1-(4-chloro-1-propylpyrazol-5-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661709
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 114656777
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
2-N,2-N,2-triethyl-1-N-methyl-1-pyrimidin-5-ylbutane-1,2-diamine
CID 79067715
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105040502
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylbutane-1,2-diol
CID 103449247
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114661589

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine (CID 114656930) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine is CCN(CC)C(CC)(CC)C(NC)c1c(Cl)cnn1CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine?
The InChIKey is JWXSIYZGOBNEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClN4/c1-7-16(8-2,20(9-3)10-4)15(18-6)14-13(17)12-19-21(14)11-5/h12,15,18H,7-11H2,1-6H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine has a molecular weight of 314.91 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine is sourced from PubChem (CID 114656930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).