N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide

C15H18ClN3O2 — CID 19333065

IUPACN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1nn(CC)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-3-19-10-12(16)13(18-19)9-17-15(20)11-7-5-6-8-14(11)21-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyMIRHFKQGCIHEKN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.89
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide

N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide (PubChem CID 19333065) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
PubChem CID19333065
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1nn(CC)cc1Cl
InChIInChI=1S/C15H18ClN3O2/c1-3-19-10-12(16)13(18-19)9-17-15(20)11-7-5-6-8-14(11)21-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,20)
InChIKeyMIRHFKQGCIHEKN-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 19333020
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-fluorobenzamide
CID 19331292
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
CID 19322972
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19331232
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 19263382
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-[(3-chlorophenoxy)methyl]benzamide
CID 19332958
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-4-nitrobenzamide
CID 19333052
ethane;2-ethoxy-N-methylbenzamide
CID 142472808

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide (CID 19333065) is N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1nn(CC)cc1Cl.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide?
The InChIKey is MIRHFKQGCIHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-19-10-12(16)13(18-19)9-17-15(20)11-7-5-6-8-14(11)21-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,17,20).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide?
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide has a molecular weight of 307.78 g/mol, XLogP of 2.89, 6 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-3-yl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 19333065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).