[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C12H20ClF3N4O — CID 103151695

IUPAC[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C12H20ClF3N4O/c1-3-20-10(11(13)8(2)19-20)6-9(18-17)4-5-21-7-12(14,15)16/h9,18H,3-7,17H2,1-2H3
InChIKeyUWKVRHYTTNFVCE-UHFFFAOYSA-N
MW328.77 g/mol
LogP2.21
Rot. Bonds8

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

[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151695) has the molecular formula C12H20ClF3N4O and a molecular weight of 328.77 g/mol. Its IUPAC name is [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151695
Molecular FormulaC12H20ClF3N4O
Molecular Weight328.77 g/mol
Exact Mass328.13
IUPAC Name[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C12H20ClF3N4O/c1-3-20-10(11(13)8(2)19-20)6-9(18-17)4-5-21-7-12(14,15)16/h9,18H,3-7,17H2,1-2H3
InChIKeyUWKVRHYTTNFVCE-UHFFFAOYSA-N
XLogP2.21
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 52.21
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'}

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Related Compounds

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-propoxypropan-2-yl]hydrazine
CID 105209898
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148510
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151456
[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-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149566
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148099
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146774
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147997
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-propoxybutan-2-ol
CID 105107429
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206281

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151695) is [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is CCn1nc(C)c(Cl)c1CC(CCOCC(F)(F)F)NN.
What is the InChIKey of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is UWKVRHYTTNFVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClF3N4O/c1-3-20-10(11(13)8(2)19-20)6-9(18-17)4-5-21-7-12(14,15)16/h9,18H,3-7,17H2,1-2H3.
What are the key properties of [1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 328.77 g/mol, XLogP of 2.21, 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)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).