3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide

C22H24N4O3 — CID 9163277

IUPAC3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC
InChIInChI=1S/C22H24N4O3/c1-3-13-23-20(27)14-24-22(28)18-15-26(16-9-5-4-6-10-16)25-21(18)17-11-7-8-12-19(17)29-2/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyDOUWRTPNBMEAFP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.80
Rot. Bonds8

About 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide

3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 9163277) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID9163277
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC
InChIInChI=1S/C22H24N4O3/c1-3-13-23-20(27)14-24-22(28)18-15-26(16-9-5-4-6-10-16)25-21(18)17-11-7-8-12-19(17)29-2/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyDOUWRTPNBMEAFP-UHFFFAOYSA-N
XLogP2.80
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxyphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9301390
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 8985765
3-(2-methoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55954223
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
3-(2-methoxyphenyl)-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31340329
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 32827088
N-[4-(diethylcarbamoyl)phenyl]-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 34544116
N-(4-fluorophenyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 8744666
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 30157703
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149
3-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 55491757

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide (CID 9163277) is 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide is CCCNC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DOUWRTPNBMEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-13-23-20(27)14-24-22(28)18-15-26(16-9-5-4-6-10-16)25-21(18)17-11-7-8-12-19(17)29-2/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide?
3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-oxo-2-(propylamino)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9163277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).