[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine

C14H20ClN5 — CID 105279877

IUPAC[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2cnccc2C)c1Cl
InChIInChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(3)19-11)7-12(18-16)10-8-17-6-5-9(10)2/h5-6,8,12,18H,4,7,16H2,1-3H3
InChIKeyOTVDCNUPIQOKBW-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.09
Rot. Bonds5

About [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine

[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine (PubChem CID 105279877) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
PubChem CID105279877
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2cnccc2C)c1Cl
InChIInChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(3)19-11)7-12(18-16)10-8-17-6-5-9(10)2/h5-6,8,12,18H,4,7,16H2,1-3H3
InChIKeyOTVDCNUPIQOKBW-UHFFFAOYSA-N
XLogP2.09
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine (CID 105279877) is [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)c2cnccc2C)c1Cl.
What is the InChIKey of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine?
The InChIKey is OTVDCNUPIQOKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-11-14(15)13(20(3)19-11)7-12(18-16)10-8-17-6-5-9(10)2/h5-6,8,12,18H,4,7,16H2,1-3H3.
What are the key properties of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine?
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine has a molecular weight of 293.80 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105279877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).