N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide

C14H16N4O2 — CID 24672088

IUPACN'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide
SMILESCc1nn(C)c(C)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-9-12(10(2)18(3)17-9)14(20)16-15-13(19)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,15,19)(H,16,20)
InChIKeyGHNNPYWZNWCFBZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.11
Rot. Bonds2

About N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide

N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide (PubChem CID 24672088) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide
PubChem CID24672088
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide
SMILESCc1nn(C)c(C)c1C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-9-12(10(2)18(3)17-9)14(20)16-15-13(19)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,15,19)(H,16,20)
InChIKeyGHNNPYWZNWCFBZ-UHFFFAOYSA-N
XLogP1.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide?
The IUPAC name of N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide (CID 24672088) is N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide is Cc1nn(C)c(C)c1C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide?
The InChIKey is GHNNPYWZNWCFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-12(10(2)18(3)17-9)14(20)16-15-13(19)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,15,19)(H,16,20).
What are the key properties of N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide?
N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide has a molecular weight of 272.31 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1,3,5-trimethylpyrazole-4-carbohydrazide is sourced from PubChem (CID 24672088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).