2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide

C13H14ClN3O2 — CID 19340469

IUPAC2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
SMILESCCOCn1cc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C13H14ClN3O2/c1-2-19-9-17-8-10(7-15-17)16-13(18)11-5-3-4-6-12(11)14/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyZXONILAIIZAHBP-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.78
Rot. Bonds5

About 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide

2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19340469) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19340469
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
SMILESCCOCn1cc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C13H14ClN3O2/c1-2-19-9-17-8-10(7-15-17)16-13(18)11-5-3-4-6-12(11)14/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyZXONILAIIZAHBP-UHFFFAOYSA-N
XLogP2.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507277
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-ethylpyrazole-3-carboxamide
CID 19475516
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-methyl-3-nitrobenzamide
CID 19340481
3-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340497
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402203
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
N-[1-(ethoxymethyl)pyrazol-4-yl]-4-fluorobenzamide
CID 19340648
2-[5-[[1-(ethoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide (CID 19340469) is 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide is CCOCn1cc(NC(=O)c2ccccc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is ZXONILAIIZAHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-2-19-9-17-8-10(7-15-17)16-13(18)11-5-3-4-6-12(11)14/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide?
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 279.73 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19340469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).