N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

C23H25N3O3 — CID 33083677

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)Cc2cnn(-c3ccccc3)c2)C2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-28-21-10-11-22(29-2)18(13-21)16-25(19-8-9-19)23(27)12-17-14-24-26(15-17)20-6-4-3-5-7-20/h3-7,10-11,13-15,19H,8-9,12,16H2,1-2H3
InChIKeyXLBQUUBKBRCGLE-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.62
Rot. Bonds8

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 33083677) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID33083677
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCOc1ccc(OC)c(CN(C(=O)Cc2cnn(-c3ccccc3)c2)C2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-28-21-10-11-22(29-2)18(13-21)16-25(19-8-9-19)23(27)12-17-14-24-26(15-17)20-6-4-3-5-7-20/h3-7,10-11,13-15,19H,8-9,12,16H2,1-2H3
InChIKeyXLBQUUBKBRCGLE-UHFFFAOYSA-N
XLogP3.62
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35367805
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 33078129
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 134053810
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132
N-cyclopropyl-2-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)acetamide
CID 78860034
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 33078304

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 33083677) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is COc1ccc(OC)c(CN(C(=O)Cc2cnn(-c3ccccc3)c2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is XLBQUUBKBRCGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-21-10-11-22(29-2)18(13-21)16-25(19-8-9-19)23(27)12-17-14-24-26(15-17)20-6-4-3-5-7-20/h3-7,10-11,13-15,19H,8-9,12,16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 33083677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).