N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide

C15H19N3O2 — CID 19340608

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
SMILESCCOCn1cc(NC(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H19N3O2/c1-4-20-10-18-9-14(8-16-18)17-15(19)13-6-5-11(2)12(3)7-13/h5-9H,4,10H2,1-3H3,(H,17,19)
InChIKeyMNNRHOSZCDRMMH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide (PubChem CID 19340608) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
PubChem CID19340608
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
SMILESCCOCn1cc(NC(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H19N3O2/c1-4-20-10-18-9-14(8-16-18)17-15(19)13-6-5-11(2)12(3)7-13/h5-9H,4,10H2,1-3H3,(H,17,19)
InChIKeyMNNRHOSZCDRMMH-UHFFFAOYSA-N
XLogP2.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
4-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]-3-nitrobenzamide
CID 19340667
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,5-dinitrobenzamide
CID 19340493
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340555
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
2-[4-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504753
methyl 2-[4-[(3-hydroxy-4-methylbenzoyl)amino]pyrazol-1-yl]acetate
CID 61018238
3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340497

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide (CID 19340608) is N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide is CCOCn1cc(NC(=O)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide?
The InChIKey is MNNRHOSZCDRMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-10-18-9-14(8-16-18)17-15(19)13-6-5-11(2)12(3)7-13/h5-9H,4,10H2,1-3H3,(H,17,19).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide has a molecular weight of 273.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 19340608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).