N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide

C14H16ClN3O2 — CID 19322972

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1c(Cl)cnn1C
InChIInChI=1S/C14H16ClN3O2/c1-3-20-13-7-5-4-6-10(13)14(19)16-9-12-11(15)8-17-18(12)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyJDCUHHKBHJSITO-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.40
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide (PubChem CID 19322972) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
PubChem CID19322972
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCc1c(Cl)cnn1C
InChIInChI=1S/C14H16ClN3O2/c1-3-20-13-7-5-4-6-10(13)14(19)16-9-12-11(15)8-17-18(12)2/h4-8H,3,9H2,1-2H3,(H,16,19)
InChIKeyJDCUHHKBHJSITO-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
2,3-dichloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]benzamide
CID 19322901
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19333065
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
CID 114642059
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406266
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-[(2,3-dichlorophenoxy)methyl]benzamide
CID 19322875
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19322885

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide (CID 19322972) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCc1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide?
The InChIKey is JDCUHHKBHJSITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-3-20-13-7-5-4-6-10(13)14(19)16-9-12-11(15)8-17-18(12)2/h4-8H,3,9H2,1-2H3,(H,16,19).
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide has a molecular weight of 293.75 g/mol, XLogP of 2.40, 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-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide is sourced from PubChem (CID 19322972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).