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

C22H20FN3O2 — CID 8531491

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C22H20FN3O2/c1-13-18-11-16(23)9-10-20(18)28-21(13)22(27)24-12-19-14(2)25-26(15(19)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyZKSBAARSRYJTQJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.61
Rot. Bonds4

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8531491) 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]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8531491
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C22H20FN3O2/c1-13-18-11-16(23)9-10-20(18)28-21(13)22(27)24-12-19-14(2)25-26(15(19)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyZKSBAARSRYJTQJ-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

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 8531492
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-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514464
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
3-[(2,4-difluorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282537
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
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]-3-(2-fluorophenoxy)propanamide
CID 134013923

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 8531491) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is ZKSBAARSRYJTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-13-18-11-16(23)9-10-20(18)28-21(13)22(27)24-12-19-14(2)25-26(15(19)3)17-7-5-4-6-8-17/h4-11H,12H2,1-3H3,(H,24,27).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-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]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8531491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).