4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide

C18H23N3O2 — CID 131892543

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3(C)COC3)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-13-8-14(2)21(20-13)9-15-4-6-16(7-5-15)17(22)19-10-18(3)11-23-12-18/h4-8H,9-12H2,1-3H3,(H,19,22)
InChIKeyOWJZGGXGTMCXPE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.31
Rot. Bonds5

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide (PubChem CID 131892543) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
PubChem CID131892543
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC3(C)COC3)cc2)n1
InChIInChI=1S/C18H23N3O2/c1-13-8-14(2)21(20-13)9-15-4-6-16(7-5-15)17(22)19-10-18(3)11-23-12-18/h4-8H,9-12H2,1-3H3,(H,19,22)
InChIKeyOWJZGGXGTMCXPE-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
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N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
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N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
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CID 100585329
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide (CID 131892543) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)NCC3(C)COC3)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide?
The InChIKey is OWJZGGXGTMCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-8-14(2)21(20-13)9-15-4-6-16(7-5-15)17(22)19-10-18(3)11-23-12-18/h4-8H,9-12H2,1-3H3,(H,19,22).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-methyloxetan-3-yl)methyl]benzamide is sourced from PubChem (CID 131892543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).