N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide

C21H25N3O2 — CID 2742277

IUPACN-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(-c2cc(C(C)(C)C)oc2C)nn1C
InChIInChI=1S/C21H25N3O2/c1-13-9-7-8-10-15(13)20(25)22-19-12-17(23-24(19)6)16-11-18(21(3,4)5)26-14(16)2/h7-12H,1-6H3,(H,22,25)
InChIKeyBDEDVJSJPSVUHC-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.85
Rot. Bonds3

About N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide

N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide (PubChem CID 2742277) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide
PubChem CID2742277
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc(-c2cc(C(C)(C)C)oc2C)nn1C
InChIInChI=1S/C21H25N3O2/c1-13-9-7-8-10-15(13)20(25)22-19-12-17(23-24(19)6)16-11-18(21(3,4)5)26-14(16)2/h7-12H,1-6H3,(H,22,25)
InChIKeyBDEDVJSJPSVUHC-UHFFFAOYSA-N
XLogP4.85
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{3-[5-(tert-butyl)-2-methyl-3-furyl]-1H-pyrazol-5-yl}-4-nitrobenzamide
CID 3311423
2-methyl-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793147
3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
CID 44526652
1-[2-[3,5-Bis(trifluoromethyl)phenyl]-5-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2742777
2-Cyano-N-(5-methyl-2-phenyl-2H-pyrazol-3-yl)-3-(5-p-tolyl-furan-2-yl)-acrylamide
CID 1554430
6-[[2-(5-methylfuran-2-yl)phenyl]methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135912135
N-(1-{1-[3-(5-methyl-2-furyl)butyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24790325
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-amine
CID 2742754
N-(2,5-dimethylpyrazol-3-yl)-2,5-dimethylfuran-3-carboxamide
CID 2811734
3-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
CID 49176238
4-methoxy-N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]benzamide
CID 49176274
2-[5-[(5-Ethylfuran-2-yl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 71969720

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide (CID 2742277) is N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc(-c2cc(C(C)(C)C)oc2C)nn1C.
What is the InChIKey of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide?
The InChIKey is BDEDVJSJPSVUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13-9-7-8-10-15(13)20(25)22-19-12-17(23-24(19)6)16-11-18(21(3,4)5)26-14(16)2/h7-12H,1-6H3,(H,22,25).
What are the key properties of N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide?
N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-tert-butyl-2-methylfuran-3-yl)-1-methylpyrazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 2742277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).