1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C15H29ClN4 — CID 114656892

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1c(Cl)cnn1C(C)C)N(C)C
InChIInChI=1S/C15H29ClN4/c1-8-15(9-2,19(6)7)14(17-5)13-12(16)10-18-20(13)11(3)4/h10-11,14,17H,8-9H2,1-7H3
InChIKeyRYTWMXVCGINIQE-UHFFFAOYSA-N
MW300.88 g/mol
LogP3.50
Rot. Bonds7

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 114656892) has the molecular formula C15H29ClN4 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID114656892
Molecular FormulaC15H29ClN4
Molecular Weight300.88 g/mol
Exact Mass300.21
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1c(Cl)cnn1C(C)C)N(C)C
InChIInChI=1S/C15H29ClN4/c1-8-15(9-2,19(6)7)14(17-5)13-12(16)10-18-20(13)11(3)4/h10-11,14,17H,8-9H2,1-7H3
InChIKeyRYTWMXVCGINIQE-UHFFFAOYSA-N
XLogP3.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-propan-2-ylpyrazol-5-yl)-2-(dimethylamino)-2-methylbutan-1-ol
CID 114644430
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-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 114656746
1-(3,4-dichlorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061036
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835241
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241224
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105183643
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105183622
2-(2-chlorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114649031
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 114649102
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245533

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 114656892) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)c1c(Cl)cnn1C(C)C)N(C)C.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is RYTWMXVCGINIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29ClN4/c1-8-15(9-2,19(6)7)14(17-5)13-12(16)10-18-20(13)11(3)4/h10-11,14,17H,8-9H2,1-7H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 300.88 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 114656892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).