1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide

C22H24N4O5 — CID 56508429

IUPAC1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c(OC)c1OC
InChIInChI=1S/C22H24N4O5/c1-29-18-10-4-14(20(30-2)21(18)31-3)5-11-19(27)24-15-6-8-16(9-7-15)26-13-12-17(25-26)22(23)28/h4,6-10,12-13H,5,11H2,1-3H3,(H2,23,28)(H,24,27)
InChIKeyULAZUPQAKMQNEB-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.57
Rot. Bonds9

About 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide

1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide (PubChem CID 56508429) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide
PubChem CID56508429
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c(OC)c1OC
InChIInChI=1S/C22H24N4O5/c1-29-18-10-4-14(20(30-2)21(18)31-3)5-11-19(27)24-15-6-8-16(9-7-15)26-13-12-17(25-26)22(23)28/h4,6-10,12-13H,5,11H2,1-3H3,(H2,23,28)(H,24,27)
InChIKeyULAZUPQAKMQNEB-UHFFFAOYSA-N
XLogP2.57
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-(2,3,4-trimethoxyphenyl)acetyl]amino]benzamide
CID 17463761
1-[4-(4-cyclohexylbutanoylamino)phenyl]pyrazole-3-carboxamide
CID 56506902
1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56507403
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
4-piperidin-1-yl-3-[3-(2,3,4-trimethoxyphenyl)propanoylamino]benzamide
CID 55909549
N-[4-(tetrazol-1-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930070
1-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoylamino]phenyl]pyrazole-3-carboxamide
CID 56506640
N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871721
1-[4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56585894
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119440825

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide (CID 56508429) is 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide is COc1ccc(CCC(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)c(OC)c1OC.
What is the InChIKey of 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide?
The InChIKey is ULAZUPQAKMQNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-29-18-10-4-14(20(30-2)21(18)31-3)5-11-19(27)24-15-6-8-16(9-7-15)26-13-12-17(25-26)22(23)28/h4,6-10,12-13H,5,11H2,1-3H3,(H2,23,28)(H,24,27).
What are the key properties of 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide?
1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,3,4-trimethoxyphenyl)propanoylamino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56508429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).