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

C24H22FN3O2 — CID 9140722

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C24H22FN3O2/c1-16-20(17(2)28(26-16)18-9-5-4-6-10-18)15-27(3)24(29)23-14-13-22(30-23)19-11-7-8-12-21(19)25/h4-14H,15H2,1-3H3
InChIKeyROBMUNNAJMGSBI-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.16
Rot. Bonds5

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

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide (PubChem CID 9140722) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
PubChem CID9140722
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C24H22FN3O2/c1-16-20(17(2)28(26-16)18-9-5-4-6-10-18)15-27(3)24(29)23-14-13-22(30-23)19-11-7-8-12-21(19)25/h4-14H,15H2,1-3H3
InChIKeyROBMUNNAJMGSBI-UHFFFAOYSA-N
XLogP5.16
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9140605
3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 27533724
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 33214740
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9206070
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-propan-2-ylsulfanylbenzamide
CID 55371620
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 51331839
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylimidazole-4-carboxamide
CID 9462410
N-[(2-chloro-6-fluorophenyl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 31361212
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-pyrrol-1-ylbenzamide
CID 17395620

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide (CID 9140722) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
The InChIKey is ROBMUNNAJMGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-16-20(17(2)28(26-16)18-9-5-4-6-10-18)15-27(3)24(29)23-14-13-22(30-23)19-11-7-8-12-21(19)25/h4-14H,15H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 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-(2-fluorophenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 9140722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).