1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide

C21H27N5O2 — CID 46358533

IUPAC1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C21H27N5O2/c1-4-12-22-20(28)17-10-13-25(14-11-17)21-19(23-16(3)27)15(2)24-26(21)18-8-6-5-7-9-18/h4-9,17H,1,10-14H2,2-3H3,(H,22,28)(H,23,27)
InChIKeyORHVSVRCROYKDI-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide (PubChem CID 46358533) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
PubChem CID46358533
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide
SMILESC=CCNC(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C21H27N5O2/c1-4-12-22-20(28)17-10-13-25(14-11-17)21-19(23-16(3)27)15(2)24-26(21)18-8-6-5-7-9-18/h4-9,17H,1,10-14H2,2-3H3,(H,22,28)(H,23,27)
InChIKeyORHVSVRCROYKDI-UHFFFAOYSA-N
XLogP2.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 46358506
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 92876417
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 46358544
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-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 46358715
N-[2-(4-chlorophenyl)ethyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358581
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
N-[(3-chlorophenyl)methyl]-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358570
1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 46358606
N-(2,4-dimethoxyphenyl)-1-[3-methyl-1-phenyl-4-(propanoylamino)pyrazol-5-yl]piperidine-4-carboxamide
CID 46358585

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide (CID 46358533) is 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide is C=CCNC(=O)C1CCN(c2c(NC(C)=O)c(C)nn2-c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide?
The InChIKey is ORHVSVRCROYKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-12-22-20(28)17-10-13-25(14-11-17)21-19(23-16(3)27)15(2)24-26(21)18-8-6-5-7-9-18/h4-9,17H,1,10-14H2,2-3H3,(H,22,28)(H,23,27).
What are the key properties of 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide?
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-prop-2-enylpiperidine-4-carboxamide is sourced from PubChem (CID 46358533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).