1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C25H30ClN5O3 — CID 46358687

IUPAC1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCc2ccc(C)o2)CC1
InChIInChI=1S/C25H30ClN5O3/c1-4-22(32)28-23-17(3)29-31(20-8-6-19(26)7-9-20)25(23)30-13-11-18(12-14-30)24(33)27-15-21-10-5-16(2)34-21/h5-10,18H,4,11-15H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyVEUFKRYOLVGKFA-UHFFFAOYSA-N
MW484.00 g/mol
LogP4.62
Rot. Bonds7

About 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 46358687) has the molecular formula C25H30ClN5O3 and a molecular weight of 484.00 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID46358687
Molecular FormulaC25H30ClN5O3
Molecular Weight484.00 g/mol
Exact Mass483.20
IUPAC Name1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCc2ccc(C)o2)CC1
InChIInChI=1S/C25H30ClN5O3/c1-4-22(32)28-23-17(3)29-31(20-8-6-19(26)7-9-20)25(23)30-13-11-18(12-14-30)24(33)27-15-21-10-5-16(2)34-21/h5-10,18H,4,11-15H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyVEUFKRYOLVGKFA-UHFFFAOYSA-N
XLogP4.62
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581
N-[(3-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358570
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46358715
1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46378501
1-[1-(4-chlorophenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 53123045
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92876422
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-[2-(3-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46358720
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
N-(2,4-dimethoxyphenyl)-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358585
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 46358606
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 46358567
1-[4-acetamido-1-(4-chlorophenyl)-3-methylpyrazol-5-yl]-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
CID 46358721

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 46358687) is 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is CCC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCc2ccc(C)o2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VEUFKRYOLVGKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O3/c1-4-22(32)28-23-17(3)29-31(20-8-6-19(26)7-9-20)25(23)30-13-11-18(12-14-30)24(33)27-15-21-10-5-16(2)34-21/h5-10,18H,4,11-15H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 484.00 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46358687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).