5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide

C14H20N4O — CID 2868037

IUPAC5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H20N4O/c15-16-13(19)11-4-12(18-17-11)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7,15H2,(H,16,19)(H,17,18)
InChIKeyYMFKNGJOSASFBL-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.48
Rot. Bonds2

About 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide

5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide (PubChem CID 2868037) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide
PubChem CID2868037
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide
SMILESNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1
InChIInChI=1S/C14H20N4O/c15-16-13(19)11-4-12(18-17-11)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7,15H2,(H,16,19)(H,17,18)
InChIKeyYMFKNGJOSASFBL-UHFFFAOYSA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide?
The IUPAC name of 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide (CID 2868037) is 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide.
What is the SMILES notation for 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide?
The canonical SMILES for 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide is NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1.
What is the InChIKey of 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide?
The InChIKey is YMFKNGJOSASFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c15-16-13(19)11-4-12(18-17-11)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7,15H2,(H,16,19)(H,17,18).
What are the key properties of 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide?
5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide has a molecular weight of 260.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyl)-1H-pyrazole-3-carbohydrazide is sourced from PubChem (CID 2868037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).