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

C12H23ClN4O — CID 105209898

IUPAC[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
SMILESCCCOCC(Cc1c(Cl)c(C)nn1CC)NN
InChIInChI=1S/C12H23ClN4O/c1-4-6-18-8-10(15-14)7-11-12(13)9(3)16-17(11)5-2/h10,15H,4-8,14H2,1-3H3
InChIKeyQELUDAFUQGOZNB-UHFFFAOYSA-N
MW274.80 g/mol
LogP1.67
Rot. Bonds8

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

[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine (PubChem CID 105209898) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
PubChem CID105209898
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
SMILESCCCOCC(Cc1c(Cl)c(C)nn1CC)NN
InChIInChI=1S/C12H23ClN4O/c1-4-6-18-8-10(15-14)7-11-12(13)9(3)16-17(11)5-2/h10,15H,4-8,14H2,1-3H3
InChIKeyQELUDAFUQGOZNB-UHFFFAOYSA-N
XLogP1.67
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151695
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine
CID 114033184
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-propoxybutan-2-ol
CID 105107429
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149566
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215626
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105212041
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-diethoxypropan-2-amine
CID 79495382
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105265950
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105160040

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine (CID 105209898) is [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine is CCCOCC(Cc1c(Cl)c(C)nn1CC)NN.
What is the InChIKey of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine?
The InChIKey is QELUDAFUQGOZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4O/c1-4-6-18-8-10(15-14)7-11-12(13)9(3)16-17(11)5-2/h10,15H,4-8,14H2,1-3H3.
What are the key properties of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine?
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine has a molecular weight of 274.80 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine is sourced from PubChem (CID 105209898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).