1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide

C19H25N3O2 — CID 126786166

IUPAC1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(c2ccccc2)C2CCOC2)nn1C(C)(C)C
InChIInChI=1S/C19H25N3O2/c1-14-12-17(20-22(14)19(2,3)4)18(23)21(16-10-11-24-13-16)15-8-6-5-7-9-15/h5-9,12,16H,10-11,13H2,1-4H3
InChIKeyOZZNRSDOXFEVHR-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.38
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide

1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide (PubChem CID 126786166) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide
PubChem CID126786166
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(c2ccccc2)C2CCOC2)nn1C(C)(C)C
InChIInChI=1S/C19H25N3O2/c1-14-12-17(20-22(14)19(2,3)4)18(23)21(16-10-11-24-13-16)15-8-6-5-7-9-15/h5-9,12,16H,10-11,13H2,1-4H3
InChIKeyOZZNRSDOXFEVHR-UHFFFAOYSA-N
XLogP3.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide (CID 126786166) is 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(c2ccccc2)C2CCOC2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide?
The InChIKey is OZZNRSDOXFEVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-12-17(20-22(14)19(2,3)4)18(23)21(16-10-11-24-13-16)15-8-6-5-7-9-15/h5-9,12,16H,10-11,13H2,1-4H3.
What are the key properties of 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide?
1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-(oxolan-3-yl)-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 126786166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).