4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C19H26N4O2 — CID 14460811

IUPAC4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCC(=O)Nc1c(C)nn(C)c1C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N4O2/c1-12-16(21-13(2)24)17(23(6)22-12)18(25)20-11-14-7-9-15(10-8-14)19(3,4)5/h7-10H,11H2,1-6H3,(H,20,25)(H,21,24)
InChIKeySOFGUPNONBMZLH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.91
Rot. Bonds4

About 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 14460811) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID14460811
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCC(=O)Nc1c(C)nn(C)c1C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H26N4O2/c1-12-16(21-13(2)24)17(23(6)22-12)18(25)20-11-14-7-9-15(10-8-14)19(3,4)5/h7-10H,11H2,1-6H3,(H,20,25)(H,21,24)
InChIKeySOFGUPNONBMZLH-UHFFFAOYSA-N
XLogP2.91
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 59678617
N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 14460888
1-[5-[(4-tert-butylphenyl)methylcarbamoyl]-4-chloro-1-methylpyrazol-3-yl]ethyl thiohypofluorite
CID 143094995
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
CID 28554082
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[(4-tert-butylphenyl)methyl]-4-chloro-5-(1,1-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 24865553
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121059
[[(1S)-1-[5-[(4-tert-butylphenyl)methylcarbamoyl]-4-chloro-1-methylpyrazol-3-yl]ethyl]amino] methanesulfonate
CID 163754005
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 14460811) is 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is CC(=O)Nc1c(C)nn(C)c1C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is SOFGUPNONBMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-16(21-13(2)24)17(23(6)22-12)18(25)20-11-14-7-9-15(10-8-14)19(3,4)5/h7-10H,11H2,1-6H3,(H,20,25)(H,21,24).
What are the key properties of 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 14460811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).