5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

C22H20N6O2 — CID 51999455

IUPAC5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)nn1-c1ccccc1
InChIInChI=1S/C22H20N6O2/c1-16(29)24-21-14-20(26-28(21)19-9-3-2-4-10-19)22(30)25-18-8-5-7-17(13-18)15-27-12-6-11-23-27/h2-14H,15H2,1H3,(H,24,29)(H,25,30)
InChIKeyANIBWODNMNYFLU-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.33
Rot. Bonds6

About 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide

5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 51999455) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
PubChem CID51999455
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCC(=O)Nc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)nn1-c1ccccc1
InChIInChI=1S/C22H20N6O2/c1-16(29)24-21-14-20(26-28(21)19-9-3-2-4-10-19)22(30)25-18-8-5-7-17(13-18)15-27-12-6-11-23-27/h2-14H,15H2,1H3,(H,24,29)(H,25,30)
InChIKeyANIBWODNMNYFLU-UHFFFAOYSA-N
XLogP3.33
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetamido-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51999507
N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440185
N-[3-(phenoxymethyl)phenyl]-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998872
1-(difluoromethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19268564
ethyl 4-[(5-acetamido-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 51999347
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590
5-acetamido-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51999472
5-acetamido-1-phenyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-3-carboxamide
CID 51999504
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
5-(phenylcarbamoylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 78861256
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide (CID 51999455) is 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide is CC(=O)Nc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)nn1-c1ccccc1.
What is the InChIKey of 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is ANIBWODNMNYFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-16(29)24-21-14-20(26-28(21)19-9-3-2-4-10-19)22(30)25-18-8-5-7-17(13-18)15-27-12-6-11-23-27/h2-14H,15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide?
5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51999455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).