N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C24H22FN3O3 — CID 4529938

IUPACN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2)n1
InChIInChI=1S/C24H22FN3O3/c1-16-13-17(2)28(27-16)14-18-3-7-20(8-4-18)26-24(29)23-12-11-22(31-23)15-30-21-9-5-19(25)6-10-21/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyFHLXGQSUYXBEKG-UHFFFAOYSA-N
MW419.46 g/mol
LogP5.11
Rot. Bonds7

About N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 4529938) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID4529938
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2)n1
InChIInChI=1S/C24H22FN3O3/c1-16-13-17(2)28(27-16)14-18-3-7-20(8-4-18)26-24(29)23-12-11-22(31-23)15-30-21-9-5-19(25)6-10-21/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyFHLXGQSUYXBEKG-UHFFFAOYSA-N
XLogP5.11
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 1017805
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-5-({2-nitro-4-methylphenoxy}methyl)-2-furamide
CID 4161838
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
(1-{4-[(5-Fluoro-3-methylbenzofuran-2-carbonyl)amino]benzyl}-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59054498
2-[1-[[4-[(5-Methoxy-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 59054507
(1-{2-Fluoro-4-[(5-fluoro-3-methylbenzofuran-2-carbonyl)amino]benzyl}-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59054523
2-[1-[[4-(1-Benzofuran-2-carbonylamino)phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
CID 86766358
2-[1-[[4-[(3-Ethyl-7-fluoro-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766363
2-[1-[[4-[(3-Ethyl-5,7-difluoro-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766364
2-[1-[[4-[(3-Ethyl-5-fluoro-1-benzofuran-2-carbonyl)amino]-2-fluorophenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766376

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 4529938) is N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2)n1.
What is the InChIKey of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is FHLXGQSUYXBEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-16-13-17(2)28(27-16)14-18-3-7-20(8-4-18)26-24(29)23-12-11-22(31-23)15-30-21-9-5-19(25)6-10-21/h3-13H,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 4529938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).