N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide

C24H28N4O4 — CID 24793251

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide
SMILESCOCc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1
InChIInChI=1S/C24H28N4O4/c1-16-14-17(2)28(26-16)19-9-7-18(8-10-19)25-23(29)21-6-4-5-13-27(21)24(30)22-12-11-20(32-22)15-31-3/h7-12,14,21H,4-6,13,15H2,1-3H3,(H,25,29)
InChIKeyFSBWVDINLKOCGY-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.86
Rot. Bonds6

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide (PubChem CID 24793251) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide
PubChem CID24793251
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide
SMILESCOCc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1
InChIInChI=1S/C24H28N4O4/c1-16-14-17(2)28(26-16)19-9-7-18(8-10-19)25-23(29)21-6-4-5-13-27(21)24(30)22-12-11-20(32-22)15-31-3/h7-12,14,21H,4-6,13,15H2,1-3H3,(H,25,29)
InChIKeyFSBWVDINLKOCGY-UHFFFAOYSA-N
XLogP3.86
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-2-furancarboxamide
CID 25162249
[5-[(3,5-Dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 998489
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 24818915
N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]furan-2-carboxamide
CID 35534513
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-3-pyridinyl-2-furamide
CID 4192875
5-(methoxymethyl)-N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16189939
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-[(5-methyl-2-furyl)methyl]-4-piperidinecarboxamide
CID 24790523
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 24791012
N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-1-(5-methoxy-2-furoyl)-2-piperidinecarboxamide
CID 24791962
5-(furan-2-carbonyl)-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 137645437
(3,5-dimethyl-1H-pyrazol-1-yl){5-[(4-fluorophenoxy)methyl]furan-2-yl}methanone
CID 5076881

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide (CID 24793251) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide is COCc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide?
The InChIKey is FSBWVDINLKOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-14-17(2)28(26-16)19-9-7-18(8-10-19)25-23(29)21-6-4-5-13-27(21)24(30)22-12-11-20(32-22)15-31-3/h7-12,14,21H,4-6,13,15H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 24793251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).