N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide

C14H16ClN3O2 — CID 19296682

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H16ClN3O2/c1-3-18-13(12(15)8-17-18)9-16-14(19)10-5-4-6-11(7-10)20-2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyVAJGVHVSQYJRCX-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.49
Rot. Bonds5

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide (PubChem CID 19296682) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
PubChem CID19296682
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H16ClN3O2/c1-3-18-13(12(15)8-17-18)9-16-14(19)10-5-4-6-11(7-10)20-2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyVAJGVHVSQYJRCX-UHFFFAOYSA-N
XLogP2.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19296674
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19296844
(E)-3-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 19560733
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19323105
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19296693
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-nitrobenzamide
CID 19322650
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19467077
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19323046

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide (CID 19296682) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide is CCn1ncc(Cl)c1CNC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide?
The InChIKey is VAJGVHVSQYJRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-18-13(12(15)8-17-18)9-16-14(19)10-5-4-6-11(7-10)20-2/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide has a molecular weight of 293.75 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 19296682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).