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

C11H21ClN4O — CID 105245533

IUPAC[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
SMILESCOC(C)(C)C(NN)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H21ClN4O/c1-7(2)16-9(8(12)6-14-16)10(15-13)11(3,4)17-5/h6-7,10,15H,13H2,1-5H3
InChIKeyYYVBZUZYKUXQQL-UHFFFAOYSA-N
MW260.77 g/mol
LogP2.05
Rot. Bonds5

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

[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine (PubChem CID 105245533) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
PubChem CID105245533
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
SMILESCOC(C)(C)C(NN)c1c(Cl)cnn1C(C)C
InChIInChI=1S/C11H21ClN4O/c1-7(2)16-9(8(12)6-14-16)10(15-13)11(3,4)17-5/h6-7,10,15H,13H2,1-5H3
InChIKeyYYVBZUZYKUXQQL-UHFFFAOYSA-N
XLogP2.05
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 52.05
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-propan-2-ylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246185
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylbutyl]hydrazine
CID 105241224
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-N,2-N-diethyl-1-N,2-dimethylpropane-1,2-diamine
CID 114656580
[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105215710
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-hydrazinyl-N,N,2-trimethylpropan-2-amine
CID 105238898
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-ethoxypropyl]hydrazine
CID 105336873
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiadiazol-4-yl)methyl]hydrazine
CID 105336778
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine
CID 114657389
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105336781
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105183643
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 114656892

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine (CID 105245533) is [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine is COC(C)(C)C(NN)c1c(Cl)cnn1C(C)C.
What is the InChIKey of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine?
The InChIKey is YYVBZUZYKUXQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClN4O/c1-7(2)16-9(8(12)6-14-16)10(15-13)11(3,4)17-5/h6-7,10,15H,13H2,1-5H3.
What are the key properties of [1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine?
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine has a molecular weight of 260.77 g/mol, XLogP of 2.05, 5 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)-2-methoxy-2-methylpropyl]hydrazine is sourced from PubChem (CID 105245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).