N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide

C18H23N3O2 — CID 136567701

IUPACN-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCC1(C)CCCC(CNC(=O)c2ccccc2-n2cccn2)O1
InChIInChI=1S/C18H23N3O2/c1-18(2)10-5-7-14(23-18)13-19-17(22)15-8-3-4-9-16(15)21-12-6-11-20-21/h3-4,6,8-9,11-12,14H,5,7,10,13H2,1-2H3,(H,19,22)
InChIKeyKSPNOQFEKGWQCA-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.95
Rot. Bonds4

About N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide

N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide (PubChem CID 136567701) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
PubChem CID136567701
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide
SMILESCC1(C)CCCC(CNC(=O)c2ccccc2-n2cccn2)O1
InChIInChI=1S/C18H23N3O2/c1-18(2)10-5-7-14(23-18)13-19-17(22)15-8-3-4-9-16(15)21-12-6-11-20-21/h3-4,6,8-9,11-12,14H,5,7,10,13H2,1-2H3,(H,19,22)
InChIKeyKSPNOQFEKGWQCA-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 99320484
N'-(2-pyrazol-1-ylbenzoyl)oxolane-2-carbohydrazide
CID 87045357
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-pyrazol-1-ylbenzamide
CID 87004293
1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 126793407
N-[(6,6-dimethyloxan-2-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 136567685
N-hexyl-2-pyrazol-1-ylbenzamide
CID 47213393
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
2-[4-(aminomethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 110121715
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
N-[[(2S)-5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrazol-1-ylbenzamide
CID 42340527
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
CID 111663006
N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-5-methyl-1-propan-2-yltriazole-4-carboxamide
CID 164640798

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide (CID 136567701) is N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide is CC1(C)CCCC(CNC(=O)c2ccccc2-n2cccn2)O1.
What is the InChIKey of N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is KSPNOQFEKGWQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(2)10-5-7-14(23-18)13-19-17(22)15-8-3-4-9-16(15)21-12-6-11-20-21/h3-4,6,8-9,11-12,14H,5,7,10,13H2,1-2H3,(H,19,22).
What are the key properties of N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide?
N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 313.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyloxan-2-yl)methyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 136567701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).