4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide

C14H17N3O — CID 162636554

IUPAC4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide
SMILESCCn1ncc(-c2ccc(C(=O)NC)cc2)c1C
InChIInChI=1S/C14H17N3O/c1-4-17-10(2)13(9-16-17)11-5-7-12(8-6-11)14(18)15-3/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyLOODRDPSQWWMFP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds3

About 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide

4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide (PubChem CID 162636554) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide
PubChem CID162636554
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide
SMILESCCn1ncc(-c2ccc(C(=O)NC)cc2)c1C
InChIInChI=1S/C14H17N3O/c1-4-17-10(2)13(9-16-17)11-5-7-12(8-6-11)14(18)15-3/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyLOODRDPSQWWMFP-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethyl-5-methylpyrazol-4-yl)aniline
CID 66097855
4-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099115
4-(1-ethyl-5-methylpyrazol-4-yl)pyridine
CID 157015319
1-[3-(1-ethyl-5-methylpyrazol-4-yl)phenyl]ethanone
CID 66096178
4-[4-(1-ethoxyethyl)phenyl]-1-ethyl-5-methylpyrazole
CID 162634400
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-N-methylbenzamide
CID 71688203
N-(1-ethyl-5-methylpyrazol-4-yl)-4-nitrobenzamide
CID 4865654
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66096186
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290408
4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
CID 89203284
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
CID 19323151

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide?
The IUPAC name of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide (CID 162636554) is 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide?
The canonical SMILES for 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide is CCn1ncc(-c2ccc(C(=O)NC)cc2)c1C.
What is the InChIKey of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide?
The InChIKey is LOODRDPSQWWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-17-10(2)13(9-16-17)11-5-7-12(8-6-11)14(18)15-3/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide?
4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-5-methylpyrazol-4-yl)-N-methylbenzamide is sourced from PubChem (CID 162636554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).