3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide

C22H23N3O3 — CID 42687643

IUPAC3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C2CCOCC2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-9-5-8-17(14-18)22(26)23-21-19(15-6-3-2-4-7-15)24-25-20(21)16-10-12-28-13-11-16/h2-9,14,16H,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeySNJLJSZPTXRMHY-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.23
Rot. Bonds5

About 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide

3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42687643) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
PubChem CID42687643
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C2CCOCC2)c1
InChIInChI=1S/C22H23N3O3/c1-27-18-9-5-8-17(14-18)22(26)23-21-19(15-6-3-2-4-7-15)24-25-20(21)16-10-12-28-13-11-16/h2-9,14,16H,10-13H2,1H3,(H,23,26)(H,24,25)
InChIKeySNJLJSZPTXRMHY-UHFFFAOYSA-N
XLogP4.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42687656
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-[5-cyclopropyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 42686544
4-chloro-N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]benzamide
CID 42874002
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-2-methoxyacetamide
CID 42687630
3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 142699253
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 42687455
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide (CID 42687643) is 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide is COc1cccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C2CCOCC2)c1.
What is the InChIKey of 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is SNJLJSZPTXRMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-18-9-5-8-17(14-18)22(26)23-21-19(15-6-3-2-4-7-15)24-25-20(21)16-10-12-28-13-11-16/h2-9,14,16H,10-13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide?
3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42687643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).