4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide

C22H24N4O3 — CID 58451571

IUPAC4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C)cc1CC(=O)Nc1cccc(CCc2cn[nH]c2C(N)=O)c1
InChIInChI=1S/C22H24N4O3/c1-14-6-9-19(29-2)17(10-14)12-20(27)25-18-5-3-4-15(11-18)7-8-16-13-24-26-21(16)22(23)28/h3-6,9-11,13H,7-8,12H2,1-2H3,(H2,23,28)(H,24,26)(H,25,27)
InChIKeyGZIIAKJNIYPBQO-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.79
Rot. Bonds8

About 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide

4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 58451571) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID58451571
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C)cc1CC(=O)Nc1cccc(CCc2cn[nH]c2C(N)=O)c1
InChIInChI=1S/C22H24N4O3/c1-14-6-9-19(29-2)17(10-14)12-20(27)25-18-5-3-4-15(11-18)7-8-16-13-24-26-21(16)22(23)28/h3-6,9-11,13H,7-8,12H2,1-2H3,(H2,23,28)(H,24,26)(H,25,27)
InChIKeyGZIIAKJNIYPBQO-UHFFFAOYSA-N
XLogP2.79
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide
CID 58451591
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9378057
3-(2-methoxy-5-methylphenyl)-N-phenylpropanamide
CID 154159479
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
2-(2,5-dimethoxyphenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 7581668

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide (CID 58451571) is 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide is COc1ccc(C)cc1CC(=O)Nc1cccc(CCc2cn[nH]c2C(N)=O)c1.
What is the InChIKey of 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GZIIAKJNIYPBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-6-9-19(29-2)17(10-14)12-20(27)25-18-5-3-4-15(11-18)7-8-16-13-24-26-21(16)22(23)28/h3-6,9-11,13H,7-8,12H2,1-2H3,(H2,23,28)(H,24,26)(H,25,27).
What are the key properties of 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide?
4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]phenyl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 58451571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).