[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine

C16H23ClN4 — CID 105217742

IUPAC[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
SMILESCCC(CC)(c1ccccc1)C(NN)c1c(Cl)cnn1C
InChIInChI=1S/C16H23ClN4/c1-4-16(5-2,12-9-7-6-8-10-12)15(20-18)14-13(17)11-19-21(14)3/h6-11,15,20H,4-5,18H2,1-3H3
InChIKeyKHNZUUADEJVABP-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.34
Rot. Bonds6

About [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine

[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine (PubChem CID 105217742) has the molecular formula C16H23ClN4 and a molecular weight of 306.84 g/mol. Its IUPAC name is [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
PubChem CID105217742
Molecular FormulaC16H23ClN4
Molecular Weight306.84 g/mol
Exact Mass306.16
IUPAC Name[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine
SMILESCCC(CC)(c1ccccc1)C(NN)c1c(Cl)cnn1C
InChIInChI=1S/C16H23ClN4/c1-4-16(5-2,12-9-7-6-8-10-12)15(20-18)14-13(17)11-19-21(14)3/h6-11,15,20H,4-5,18H2,1-3H3
InChIKeyKHNZUUADEJVABP-UHFFFAOYSA-N
XLogP3.34
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-1-methylpyrazol-5-yl)-2-methyl-2-phenyl-N-propylpropan-1-amine
CID 114650522
[2-chloro-1-(4-chloro-1-methylpyrazol-5-yl)-2,2-difluoroethyl]hydrazine
CID 105265541
[1-(5-chlorothiophen-2-yl)-2-ethyl-2-phenylbutyl]hydrazine
CID 105217739
[(4-chloro-1-methylpyrazol-5-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105260785
[1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206072
[(4-chloro-1-methylpyrazol-5-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105338778
1-(4-chloro-1-methylpyrazol-5-yl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 114656746
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 114653139
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
[2-butan-2-ylsulfanyl-1-(4-chloro-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105227220
[(4-chloro-1-methylpyrazol-5-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203738
[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196547

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine (CID 105217742) is [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine is CCC(CC)(c1ccccc1)C(NN)c1c(Cl)cnn1C.
What is the InChIKey of [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine?
The InChIKey is KHNZUUADEJVABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4/c1-4-16(5-2,12-9-7-6-8-10-12)15(20-18)14-13(17)11-19-21(14)3/h6-11,15,20H,4-5,18H2,1-3H3.
What are the key properties of [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine?
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine has a molecular weight of 306.84 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-methylpyrazol-5-yl)-2-ethyl-2-phenylbutyl]hydrazine is sourced from PubChem (CID 105217742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).