[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine

C16H25ClN4 — CID 105338881

IUPAC[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H25ClN4/c1-15-4-10-3-11(5-15)7-16(6-10,9-15)14(20-18)13-12(17)8-19-21(13)2/h8,10-11,14,20H,3-7,9,18H2,1-2H3
InChIKeyDVBBSZIBSRBTAF-UHFFFAOYSA-N
MW308.86 g/mol
LogP3.18
Rot. Bonds3

About [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine

[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine (PubChem CID 105338881) has the molecular formula C16H25ClN4 and a molecular weight of 308.86 g/mol. Its IUPAC name is [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine
PubChem CID105338881
Molecular FormulaC16H25ClN4
Molecular Weight308.86 g/mol
Exact Mass308.18
IUPAC Name[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C16H25ClN4/c1-15-4-10-3-11(5-15)7-16(6-10,9-15)14(20-18)13-12(17)8-19-21(13)2/h8,10-11,14,20H,3-7,9,18H2,1-2H3
InChIKeyDVBBSZIBSRBTAF-UHFFFAOYSA-N
XLogP3.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.86
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine (CID 105338881) is [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine is Cn1ncc(Cl)c1C(NN)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine?
The InChIKey is DVBBSZIBSRBTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4/c1-15-4-10-3-11(5-15)7-16(6-10,9-15)14(20-18)13-12(17)8-19-21(13)2/h8,10-11,14,20H,3-7,9,18H2,1-2H3.
What are the key properties of [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine?
[(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine has a molecular weight of 308.86 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-methylpyrazol-5-yl)-(3-methyl-1-adamantyl)methyl]hydrazine is sourced from PubChem (CID 105338881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).