N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide

C22H24N4O3 — CID 46323299

IUPACN-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)cc2C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-15-13-16(2)26(25-15)12-11-21(27)23-18-9-10-20(29-3)19(14-18)24-22(28)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyYMKNALRNYFQEMG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.79
Rot. Bonds7

About N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide

N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide (PubChem CID 46323299) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide
PubChem CID46323299
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide
SMILESCOc1ccc(NC(=O)CCn2nc(C)cc2C)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H24N4O3/c1-15-13-16(2)26(25-15)12-11-21(27)23-18-9-10-20(29-3)19(14-18)24-22(28)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyYMKNALRNYFQEMG-UHFFFAOYSA-N
XLogP3.79
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyphenyl)benzamide
CID 48980458
methyl 3-[2-[3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]ethynyl]benzoate
CID 30750673
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55779610
N-[2-[4-methoxy-3-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl]benzamide
CID 131925236
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
N-[4-(3,5-dimethylpyrazol-1-yl)-3-methoxyphenyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 46969513
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide?
The IUPAC name of N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide (CID 46323299) is N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide.
What is the SMILES notation for N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide?
The canonical SMILES for N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide is COc1ccc(NC(=O)CCn2nc(C)cc2C)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide?
The InChIKey is YMKNALRNYFQEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-13-16(2)26(25-15)12-11-21(27)23-18-9-10-20(29-3)19(14-18)24-22(28)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide?
N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-2-methoxyphenyl]benzamide is sourced from PubChem (CID 46323299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).