N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide

C16H21N3O2 — CID 115610056

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide
SMILESCc1[nH]nc(NC(=O)c2ccc(COC(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O2/c1-10(2)21-9-13-5-7-14(8-6-13)16(20)17-15-11(3)12(4)18-19-15/h5-8,10H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyASUBERNCTCQBAF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.20
Rot. Bonds5

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide (PubChem CID 115610056) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide
PubChem CID115610056
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide
SMILESCc1[nH]nc(NC(=O)c2ccc(COC(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O2/c1-10(2)21-9-13-5-7-14(8-6-13)16(20)17-15-11(3)12(4)18-19-15/h5-8,10H,9H2,1-4H3,(H2,17,18,19,20)
InChIKeyASUBERNCTCQBAF-UHFFFAOYSA-N
XLogP3.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
N-(3-methylphenyl)-4-(propan-2-yloxymethyl)benzamide
CID 8573875
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 112696158
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
2-methyl-N'-[4-(propan-2-yloxymethyl)benzoyl]benzohydrazide
CID 8623835
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
CID 61263016
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide (CID 115610056) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide is Cc1[nH]nc(NC(=O)c2ccc(COC(C)C)cc2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is ASUBERNCTCQBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)21-9-13-5-7-14(8-6-13)16(20)17-15-11(3)12(4)18-19-15/h5-8,10H,9H2,1-4H3,(H2,17,18,19,20).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 287.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 115610056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).