[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine

C12H23ClN4O — CID 103025490

IUPAC[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H23ClN4O/c1-8(2)17-11(9(13)7-15-17)10(16-14)6-12(3,4)18-5/h7-8,10,16H,6,14H2,1-5H3
InChIKeyIMHXQTCBRFWUIV-UHFFFAOYSA-N
MW274.80 g/mol
LogP2.44
Rot. Bonds6

About [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine

[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025490) has the molecular formula C12H23ClN4O and a molecular weight of 274.80 g/mol. Its IUPAC name is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025490
Molecular FormulaC12H23ClN4O
Molecular Weight274.80 g/mol
Exact Mass274.16
IUPAC Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C12H23ClN4O/c1-8(2)17-11(9(13)7-15-17)10(16-14)6-12(3,4)18-5/h7-8,10,16H,6,14H2,1-5H3
InChIKeyIMHXQTCBRFWUIV-UHFFFAOYSA-N
XLogP2.44
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 52.44
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 [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (CID 103025490) is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is COC(C)(C)CC(NN)c1c(Cl)cnn1C(C)C.
What is the InChIKey of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is IMHXQTCBRFWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4O/c1-8(2)17-11(9(13)7-15-17)10(16-14)6-12(3,4)18-5/h7-8,10,16H,6,14H2,1-5H3.
What are the key properties of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 274.80 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).