1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide

C21H22N4O2 — CID 139014474

IUPAC1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
SMILESCNC(=O)c1cccc(CCNC(=O)c2cc(-c3ccccc3)nn2C)c1
InChIInChI=1S/C21H22N4O2/c1-22-20(26)17-10-6-7-15(13-17)11-12-23-21(27)19-14-18(24-25(19)2)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYPWCNIPPSJGDJQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.42
Rot. Bonds6

About 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide

1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 139014474) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
PubChem CID139014474
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
SMILESCNC(=O)c1cccc(CCNC(=O)c2cc(-c3ccccc3)nn2C)c1
InChIInChI=1S/C21H22N4O2/c1-22-20(26)17-10-6-7-15(13-17)11-12-23-21(27)19-14-18(24-25(19)2)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyYPWCNIPPSJGDJQ-UHFFFAOYSA-N
XLogP2.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
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1-ethyl-3-(3-fluorophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
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(5S,7R)-1,5,7-trimethyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146101233
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide
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3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
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CID 91475554
3-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-N-methylbenzamide;hydrochloride
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3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111136027
3-[2-[[N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634112
3-[2-[[N-[3-(benzylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide (CID 139014474) is 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide is CNC(=O)c1cccc(CCNC(=O)c2cc(-c3ccccc3)nn2C)c1.
What is the InChIKey of 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is YPWCNIPPSJGDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-22-20(26)17-10-6-7-15(13-17)11-12-23-21(27)19-14-18(24-25(19)2)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide?
1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 139014474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).