N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

C14H17N3O2 — CID 14545262

IUPACN-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NC(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C14H17N3O2/c1-10-9-14(2,3)17(16-10)13(19)15-12(18)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,15,18,19)
InChIKeyFQDJPMZMPIKJMO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.40
Rot. Bonds1

About N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide

N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (PubChem CID 14545262) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
PubChem CID14545262
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
SMILESCC1=NN(C(=O)NC(=O)c2ccccc2)C(C)(C)C1
InChIInChI=1S/C14H17N3O2/c1-10-9-14(2,3)17(16-10)13(19)15-12(18)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,15,18,19)
InChIKeyFQDJPMZMPIKJMO-UHFFFAOYSA-N
XLogP2.40
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide (CID 14545262) is N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is CC1=NN(C(=O)NC(=O)c2ccccc2)C(C)(C)C1.
What is the InChIKey of N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is FQDJPMZMPIKJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-9-14(2,3)17(16-10)13(19)15-12(18)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,15,18,19).
What are the key properties of N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide?
N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 14545262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).