2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C23H22N6O3 — CID 42452396

IUPAC2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cn1cc(NC(=O)COc2ccccc2)cn1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H22N6O3/c30-22(24-13-18-7-9-20(10-8-18)29-12-4-11-25-29)16-28-15-19(14-26-28)27-23(31)17-32-21-5-2-1-3-6-21/h1-12,14-15H,13,16-17H2,(H,24,30)(H,27,31)
InChIKeyGXHLIVUWSBTHKM-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.40
Rot. Bonds9

About 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 42452396) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID42452396
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cn1cc(NC(=O)COc2ccccc2)cn1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H22N6O3/c30-22(24-13-18-7-9-20(10-8-18)29-12-4-11-25-29)16-28-15-19(14-26-28)27-23(31)17-32-21-5-2-1-3-6-21/h1-12,14-15H,13,16-17H2,(H,24,30)(H,27,31)
InChIKeyGXHLIVUWSBTHKM-UHFFFAOYSA-N
XLogP2.40
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-phenoxy-N-(4-pyrazol-1-ylphenyl)butanamide
CID 31907161
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-(1-benzylpyrazol-4-yl)-2-(4-iodophenoxy)acetamide
CID 60552699
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 47029028
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 46473158
2-(4-methylphenoxy)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744497
2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 78883415
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 47063106
2-[4-(aminomethyl)phenoxy]-N-(1-ethylpyrazol-4-yl)acetamide
CID 43543203
2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 61018494
7-amino-N-[(4-pyrazol-1-ylphenyl)methyl]heptanamide;hydrochloride
CID 119725260

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 42452396) is 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is O=C(Cn1cc(NC(=O)COc2ccccc2)cn1)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is GXHLIVUWSBTHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-22(24-13-18-7-9-20(10-8-18)29-12-4-11-25-29)16-28-15-19(14-26-28)27-23(31)17-32-21-5-2-1-3-6-21/h1-12,14-15H,13,16-17H2,(H,24,30)(H,27,31).
What are the key properties of 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 430.47 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 42452396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).