N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide

C14H17N3O — CID 19290566

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
SMILESCCn1cc(CNC(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C14H17N3O/c1-3-17-10-12(9-16-17)8-15-14(18)13-6-4-5-11(2)7-13/h4-7,9-10H,3,8H2,1-2H3,(H,15,18)
InChIKeyWFCJZDCCPIFFCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.14
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide

N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide (PubChem CID 19290566) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
PubChem CID19290566
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
SMILESCCn1cc(CNC(=O)c2cccc(C)c2)cn1
InChIInChI=1S/C14H17N3O/c1-3-17-10-12(9-16-17)8-15-14(18)13-6-4-5-11(2)7-13/h4-7,9-10H,3,8H2,1-2H3,(H,15,18)
InChIKeyWFCJZDCCPIFFCD-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290692
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290716
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19290644
3-[(2-bromophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290622
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide (CID 19290566) is N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide is CCn1cc(CNC(=O)c2cccc(C)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide?
The InChIKey is WFCJZDCCPIFFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-17-10-12(9-16-17)8-15-14(18)13-6-4-5-11(2)7-13/h4-7,9-10H,3,8H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 19290566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).