4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine

C15H30ClN5 — CID 105244212

IUPAC4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
SMILESCCc1nn(CC)c(CC(CCN(CC)CC)NN)c1Cl
InChIInChI=1S/C15H30ClN5/c1-5-13-15(16)14(21(8-4)19-13)11-12(18-17)9-10-20(6-2)7-3/h12,18H,5-11,17H2,1-4H3
InChIKeyLHKNACOYUMWBJE-UHFFFAOYSA-N
MW315.89 g/mol
LogP2.23
Rot. Bonds10

About 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine

4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine (PubChem CID 105244212) has the molecular formula C15H30ClN5 and a molecular weight of 315.89 g/mol. Its IUPAC name is 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
PubChem CID105244212
Molecular FormulaC15H30ClN5
Molecular Weight315.89 g/mol
Exact Mass315.22
IUPAC Name4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine
SMILESCCc1nn(CC)c(CC(CCN(CC)CC)NN)c1Cl
InChIInChI=1S/C15H30ClN5/c1-5-13-15(16)14(21(8-4)19-13)11-12(18-17)9-10-20(6-2)7-3/h12,18H,5-11,17H2,1-4H3
InChIKeyLHKNACOYUMWBJE-UHFFFAOYSA-N
XLogP2.23
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
[3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246172
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105318284
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214340
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092735
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005746
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198758
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105001333
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79496363
[2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethyl]hydrazine
CID 105318253
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(diethylamino)butan-2-one
CID 79077087

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The IUPAC name of 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine (CID 105244212) is 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine.
What is the SMILES notation for 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The canonical SMILES for 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine is CCc1nn(CC)c(CC(CCN(CC)CC)NN)c1Cl.
What is the InChIKey of 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
The InChIKey is LHKNACOYUMWBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN5/c1-5-13-15(16)14(21(8-4)19-13)11-12(18-17)9-10-20(6-2)7-3/h12,18H,5-11,17H2,1-4H3.
What are the key properties of 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine?
4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine has a molecular weight of 315.89 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,3-diethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylbutan-1-amine is sourced from PubChem (CID 105244212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).