4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

C17H22N4O5 — CID 34421347

IUPAC4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C17H22N4O5/c1-11-7-15(18-12(2)25)21(20-11)14-5-3-13(4-6-14)16(26)19-17(8-22,9-23)10-24/h3-7,22-24H,8-10H2,1-2H3,(H,18,25)(H,19,26)
InChIKeyRDRHJUBXCPXGBE-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.42
Rot. Bonds7

About 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide

4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (PubChem CID 34421347) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
PubChem CID34421347
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Name4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
SMILESCC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NC(CO)(CO)CO)cc1
InChIInChI=1S/C17H22N4O5/c1-11-7-15(18-12(2)25)21(20-11)14-5-3-13(4-6-14)16(26)19-17(8-22,9-23)10-24/h3-7,22-24H,8-10H2,1-2H3,(H,18,25)(H,19,26)
InChIKeyRDRHJUBXCPXGBE-UHFFFAOYSA-N
XLogP-0.42
TPSA136.71 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-amino-2-oxoethyl)benzamide
CID 3332935
4-(5-acetamido-3-methylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 4309811
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[5-methyl-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyrazol-3-yl]acetamide
CID 43069498
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 55508208
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
4-[3-methyl-5-(propanoylamino)pyrazol-1-yl]-N-(2-phenylethyl)benzamide
CID 3549252
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
3-methyl-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-nitrobenzamide
CID 43018544
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxy-3-methylbenzamide
CID 114008304

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The IUPAC name of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide (CID 34421347) is 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The canonical SMILES for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is CC(=O)Nc1cc(C)nn1-c1ccc(C(=O)NC(CO)(CO)CO)cc1.
What is the InChIKey of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
The InChIKey is RDRHJUBXCPXGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-11-7-15(18-12(2)25)21(20-11)14-5-3-13(4-6-14)16(26)19-17(8-22,9-23)10-24/h3-7,22-24H,8-10H2,1-2H3,(H,18,25)(H,19,26).
What are the key properties of 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide?
4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide has a molecular weight of 362.39 g/mol, XLogP of -0.42, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetamido-3-methylpyrazol-1-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide is sourced from PubChem (CID 34421347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).