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

C11H19ClN4S — CID 105255597

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1CCCS1
InChIInChI=1S/C11H19ClN4S/c1-7(2)16-11(8(12)6-14-16)10(15-13)9-4-3-5-17-9/h6-7,9-10,15H,3-5,13H2,1-2H3
InChIKeyYNFMIDTWVCNGOP-UHFFFAOYSA-N
MW274.82 g/mol
LogP2.52
Rot. Bonds4

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

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255597) has the molecular formula C11H19ClN4S and a molecular weight of 274.82 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255597
Molecular FormulaC11H19ClN4S
Molecular Weight274.82 g/mol
Exact Mass274.10
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1CCCS1
InChIInChI=1S/C11H19ClN4S/c1-7(2)16-11(8(12)6-14-16)10(15-13)9-4-3-5-17-9/h6-7,9-10,15H,3-5,13H2,1-2H3
InChIKeyYNFMIDTWVCNGOP-UHFFFAOYSA-N
XLogP2.52
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.52
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-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255309
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255449
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
CID 105255730
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105336884
[(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
[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)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248212
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5,6-dimethyl-1,4-dithian-2-yl)methanamine
CID 103345692
7-bicyclo[4.1.0]heptanyl-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041966

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine (CID 105255597) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)C1CCCS1.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is YNFMIDTWVCNGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4S/c1-7(2)16-11(8(12)6-14-16)10(15-13)9-4-3-5-17-9/h6-7,9-10,15H,3-5,13H2,1-2H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 274.82 g/mol, XLogP of 2.52, 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)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).