[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine

C12H21ClN4O — CID 105336884

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2c(Cl)cnn2C(C)C)O1
InChIInChI=1S/C12H21ClN4O/c1-7(2)17-12(9(13)6-15-17)11(16-14)10-5-4-8(3)18-10/h6-8,10-11,16H,4-5,14H2,1-3H3
InChIKeyDLIAPAKXVZNSJB-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.19
Rot. Bonds4

About [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine (PubChem CID 105336884) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
PubChem CID105336884
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
SMILESCC1CCC(C(NN)c2c(Cl)cnn2C(C)C)O1
InChIInChI=1S/C12H21ClN4O/c1-7(2)17-12(9(13)6-15-17)11(16-14)10-5-4-8(3)18-10/h6-8,10-11,16H,4-5,14H2,1-3H3
InChIKeyDLIAPAKXVZNSJB-UHFFFAOYSA-N
XLogP2.19
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.19
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

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248212
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105245184
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methyl]hydrazine
CID 105234528
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 114655530
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 105054576
[(3-chlorothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107362358
[(2,5-dichlorophenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105302085
[(5-methyloxolan-2-yl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337682
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246185
[2,3-dihydrofuran-4-yl-(5-methyloxolan-2-yl)methyl]hydrazine
CID 130580193

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine (CID 105336884) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine is CC1CCC(C(NN)c2c(Cl)cnn2C(C)C)O1.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine?
The InChIKey is DLIAPAKXVZNSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-7(2)17-12(9(13)6-15-17)11(16-14)10-5-4-8(3)18-10/h6-8,10-11,16H,4-5,14H2,1-3H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine has a molecular weight of 272.78 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105336884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).