4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide

C18H22N4O3 — CID 90622047

IUPAC4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cnn(CC3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N4O3/c1-13(23)20-16-4-2-15(3-5-16)18(24)21-17-10-19-22(12-17)11-14-6-8-25-9-7-14/h2-5,10,12,14H,6-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyRTDQAZQMYGTRAH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.52
Rot. Bonds5

About 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide

4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 90622047) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID90622047
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2cnn(CC3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N4O3/c1-13(23)20-16-4-2-15(3-5-16)18(24)21-17-10-19-22(12-17)11-14-6-8-25-9-7-14/h2-5,10,12,14H,6-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyRTDQAZQMYGTRAH-UHFFFAOYSA-N
XLogP2.52
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
4-chloro-3-nitro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622132
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
1-ethyl-7-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90622203

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide (CID 90622047) is 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2cnn(CC3CCOCC3)c2)cc1.
What is the InChIKey of 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is RTDQAZQMYGTRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(23)20-16-4-2-15(3-5-16)18(24)21-17-10-19-22(12-17)11-14-6-8-25-9-7-14/h2-5,10,12,14H,6-9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide?
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 90622047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).