4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide

C24H24N6O3 — CID 25296478

IUPAC4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCOCC(=O)Nc1cnn(-c2ccc(C(=O)N[C@@H](C)c3cnn(-c4ccccc4)c3)cc2)c1
InChIInChI=1S/C24H24N6O3/c1-17(19-12-25-29(14-19)21-6-4-3-5-7-21)27-24(32)18-8-10-22(11-9-18)30-15-20(13-26-30)28-23(31)16-33-2/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)/t17-/m0/s1
InChIKeySZHHERNVUYCIFZ-KRWDZBQOSA-N
MW444.50 g/mol
LogP3.13
Rot. Bonds8

About 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide

4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 25296478) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID25296478
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCOCC(=O)Nc1cnn(-c2ccc(C(=O)N[C@@H](C)c3cnn(-c4ccccc4)c3)cc2)c1
InChIInChI=1S/C24H24N6O3/c1-17(19-12-25-29(14-19)21-6-4-3-5-7-21)27-24(32)18-8-10-22(11-9-18)30-15-20(13-26-30)28-23(31)16-33-2/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)/t17-/m0/s1
InChIKeySZHHERNVUYCIFZ-KRWDZBQOSA-N
XLogP3.13
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 26275525
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
CID 126840528
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119753037
2-methoxy-N-[1-[4-(thiomorpholine-4-carbonyl)phenyl]pyrazol-4-yl]acetamide
CID 26353881
methyl 3-[1-(1-phenylpyrazol-4-yl)ethylamino]propanoate
CID 81471467
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
CID 99974325
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 86848803
N-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 82706482
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 25296478) is 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide is COCC(=O)Nc1cnn(-c2ccc(C(=O)N[C@@H](C)c3cnn(-c4ccccc4)c3)cc2)c1.
What is the InChIKey of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is SZHHERNVUYCIFZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-17(19-12-25-29(14-19)21-6-4-3-5-7-21)27-24(32)18-8-10-22(11-9-18)30-15-20(13-26-30)28-23(31)16-33-2/h3-15,17H,16H2,1-2H3,(H,27,32)(H,28,31)/t17-/m0/s1.
What are the key properties of 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide?
4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 444.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 25296478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).