N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide

C23H27N3O5 — CID 55685777

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)c1
InChIInChI=1S/C23H27N3O5/c1-16(31-15-17-7-5-9-19(13-17)28-2)23(27)25-21-11-12-24-26(21)14-18-8-6-10-20(29-3)22(18)30-4/h5-13,16H,14-15H2,1-4H3,(H,25,27)
InChIKeyCNHFULHEVUDISR-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.50
Rot. Bonds10

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 55685777) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID55685777
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)c1
InChIInChI=1S/C23H27N3O5/c1-16(31-15-17-7-5-9-19(13-17)28-2)23(27)25-21-11-12-24-26(21)14-18-8-6-10-20(29-3)22(18)30-4/h5-13,16H,14-15H2,1-4H3,(H,25,27)
InChIKeyCNHFULHEVUDISR-UHFFFAOYSA-N
XLogP3.50
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)propanamide
CID 51248503
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840
(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51248444
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-[(3-methylphenyl)methoxy]benzamide
CID 52554971
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
CID 55687161
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-phenoxyphenoxy)acetamide
CID 43040304
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 55685777) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(COC(C)C(=O)Nc2ccnn2Cc2cccc(OC)c2OC)c1.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is CNHFULHEVUDISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-16(31-15-17-7-5-9-19(13-17)28-2)23(27)25-21-11-12-24-26(21)14-18-8-6-10-20(29-3)22(18)30-4/h5-13,16H,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 425.49 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 55685777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).