N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide

C20H21ClN4O3 — CID 55645164

IUPACN-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H21ClN4O3/c1-12-15(13(2)25(3)24-12)7-9-19(26)22-16-8-6-14(21)11-17(16)23-20(27)18-5-4-10-28-18/h4-6,8,10-11H,7,9H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyWMULWMCGTXMHLR-UHFFFAOYSA-N
MW400.87 g/mol
LogP4.11
Rot. Bonds6

About N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide (PubChem CID 55645164) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
PubChem CID55645164
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H21ClN4O3/c1-12-15(13(2)25(3)24-12)7-9-19(26)22-16-8-6-14(21)11-17(16)23-20(27)18-5-4-10-28-18/h4-6,8,10-11H,7,9H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyWMULWMCGTXMHLR-UHFFFAOYSA-N
XLogP4.11
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-methyl-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]benzamide
CID 51090118
N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
N-[5-chloro-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]furan-2-carboxamide
CID 55811982
N-[5-chloro-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 86944385
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51099093
N-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]ethyl]furan-2-carboxamide
CID 38231081
N-[5-chloro-2-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 55934136
N-[(4-chlorophenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41360467
5-(furan-2-carbonylamino)-1-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 51999123
N-[2-(4-aminobutanoylamino)-4-methylphenyl]furan-2-carboxamide
CID 39193662
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide (CID 55645164) is N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide is Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide?
The InChIKey is WMULWMCGTXMHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-12-15(13(2)25(3)24-12)7-9-19(26)22-16-8-6-14(21)11-17(16)23-20(27)18-5-4-10-28-18/h4-6,8,10-11H,7,9H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55645164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).