3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide

C22H24FN3O — CID 2810094

IUPAC3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H24FN3O/c1-15-6-5-7-16(12-15)14-26-19(13-20(25-26)22(2,3)4)21(27)24-18-10-8-17(23)9-11-18/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyHUBCTTCWOVWEQQ-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.93
Rot. Bonds4

About 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide

3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 2810094) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
PubChem CID2810094
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
SMILESCc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C22H24FN3O/c1-15-6-5-7-16(12-15)14-26-19(13-20(25-26)22(2,3)4)21(27)24-18-10-8-17(23)9-11-18/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyHUBCTTCWOVWEQQ-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide (CID 2810094) is 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide is Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is HUBCTTCWOVWEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-15-6-5-7-16(12-15)14-26-19(13-20(25-26)22(2,3)4)21(27)24-18-10-8-17(23)9-11-18/h5-13H,14H2,1-4H3,(H,24,27).
What are the key properties of 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide?
3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(4-fluorophenyl)-1-[(3-methylphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 2810094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).