5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide

C23H23ClN4O2 — CID 19448493

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NC(C)c3ccc(-n4cccc4)cc3)o2)c(C)c1Cl
InChIInChI=1S/C23H23ClN4O2/c1-15(18-6-8-19(9-7-18)27-12-4-5-13-27)25-23(29)21-11-10-20(30-21)14-28-17(3)22(24)16(2)26-28/h4-13,15H,14H2,1-3H3,(H,25,29)
InChIKeyWZNQDJIUTLAXIK-UHFFFAOYSA-N
MW422.92 g/mol
LogP5.08
Rot. Bonds6

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 19448493) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID19448493
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NC(C)c3ccc(-n4cccc4)cc3)o2)c(C)c1Cl
InChIInChI=1S/C23H23ClN4O2/c1-15(18-6-8-19(9-7-18)27-12-4-5-13-27)25-23(29)21-11-10-20(30-21)14-28-17(3)22(24)16(2)26-28/h4-13,15H,14H2,1-3H3,(H,25,29)
InChIKeyWZNQDJIUTLAXIK-UHFFFAOYSA-N
XLogP5.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-phenylfuran-2-carboxamide
CID 19448398
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(2,5-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 19448459
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 98334363
N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19448416
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1091794
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19456577
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 1019574
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19448372
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 17082816
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19448582
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 1225373

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide (CID 19448493) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)NC(C)c3ccc(-n4cccc4)cc3)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is WZNQDJIUTLAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-15(18-6-8-19(9-7-18)27-12-4-5-13-27)25-23(29)21-11-10-20(30-21)14-28-17(3)22(24)16(2)26-28/h4-13,15H,14H2,1-3H3,(H,25,29).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 422.92 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19448493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).