5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide

C21H22N4O2 — CID 1356784

IUPAC5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)24-20(27)17-14-22-25(16-12-8-5-9-13-16)18(17)23-19(26)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,23,26)(H,24,27)
InChIKeyLGTPSOYCUILTTQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.65
Rot. Bonds4

About 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide

5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide (PubChem CID 1356784) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide
PubChem CID1356784
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C21H22N4O2/c1-21(2,3)24-20(27)17-14-22-25(16-12-8-5-9-13-16)18(17)23-19(26)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,23,26)(H,24,27)
InChIKeyLGTPSOYCUILTTQ-UHFFFAOYSA-N
XLogP3.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide (CID 1356784) is 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide is CC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1.
What is the InChIKey of 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is LGTPSOYCUILTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-21(2,3)24-20(27)17-14-22-25(16-12-8-5-9-13-16)18(17)23-19(26)15-10-6-4-7-11-15/h4-14H,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide?
5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-tert-butyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1356784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).