N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C22H20FN3O2 — CID 8531492

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C22H20FN3O2/c1-13-17-10-7-11-19(23)21(17)28-20(13)22(27)24-12-18-14(2)25-26(15(18)3)16-8-5-4-6-9-16/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyPRGZLTSAEZMIAV-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.61
Rot. Bonds4

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8531492) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8531492
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1oc2c(F)cccc2c1C
InChIInChI=1S/C22H20FN3O2/c1-13-17-10-7-11-19(23)21(17)28-20(13)22(27)24-12-18-14(2)25-26(15(18)3)16-8-5-4-6-9-16/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyPRGZLTSAEZMIAV-UHFFFAOYSA-N
XLogP4.61
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide 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-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531491
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8531478
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 9442142
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
7-fluoro-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 24655002
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-ethyl-1,3-oxazole-4-carboxamide
CID 75455335
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-nitrofuran-2-carboxamide
CID 134013897
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 8531492) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1oc2c(F)cccc2c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is PRGZLTSAEZMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-13-17-10-7-11-19(23)21(17)28-20(13)22(27)24-12-18-14(2)25-26(15(18)3)16-8-5-4-6-9-16/h4-11H,12H2,1-3H3,(H,24,27).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8531492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).