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

C16H31ClN4 — CID 114656808

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

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

1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine (PubChem CID 114656808) 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)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
PubChem CID114656808
Molecular FormulaC16H31ClN4
Molecular Weight314.91 g/mol
Exact Mass314.22
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
SMILESCCNC(c1c(Cl)cnn1CC)C(C)(CC)N(CC)CC
InChIInChI=1S/C16H31ClN4/c1-7-16(6,20(9-3)10-4)15(18-8-2)14-13(17)12-19-21(14)11-5/h12,15,18H,7-11H2,1-6H3
InChIKeySQBTVSFPIHHFQV-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)-1-N,2-N,2-N-triethyl-2-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)-2-N,2-N,2-trimethyl-1-N-propylbutane-1,2-diamine
CID 114656777
1-(4-chloro-1-ethylpyrazol-5-yl)-2-N,2-N,2-triethyl-1-N-methylbutane-1,2-diamine
CID 114656930
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 114657422
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 114661589
1-[(4-chloro-1-ethylpyrazol-5-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114656983
1-(2,5-dichlorophenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058545
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethylnonan-1-amine
CID 105040884
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyloctan-1-amine
CID 105040888
N-[(4-chloro-1-ethylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 105040484
1-N-ethyl-1-(2-ethylpyrazol-3-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064340
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-propylsulfanylethanamine
CID 114653588

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine (CID 114656808) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine is CCNC(c1c(Cl)cnn1CC)C(C)(CC)N(CC)CC.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
The InChIKey is SQBTVSFPIHHFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31ClN4/c1-7-16(6,20(9-3)10-4)15(18-8-2)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)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-N,2-N,2-N-triethyl-2-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)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine is sourced from PubChem (CID 114656808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).