1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

C11H10ClN3O2 — CID 4773972

IUPAC1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C11H10ClN3O2/c12-8-3-1-2-4-10(8)17-7-15-6-5-9(14-15)11(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyZJSHMDSQEGVULP-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.67
Rot. Bonds4

About 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4773972) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4773972
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C11H10ClN3O2/c12-8-3-1-2-4-10(8)17-7-15-6-5-9(14-15)11(13)16/h1-6H,7H2,(H2,13,16)
InChIKeyZJSHMDSQEGVULP-UHFFFAOYSA-N
XLogP1.67
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chlorophenyl 1-ethyl-1H-pyrazole-3-carboxylate
CID 892993
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
1-[(2-Fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
methyl 1-[(2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylate
CID 671228
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
CID 4775217
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(thiomorpholin-4-yl)methanone
CID 4776307
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(morpholin-4-yl)methanone
CID 4776382
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(pyrrolidin-1-yl)methanone
CID 4863056
N-tert-butyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4865147
N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4867070
1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxylic acid
CID 7017297

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 4773972) is 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is NC(=O)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is ZJSHMDSQEGVULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-8-3-1-2-4-10(8)17-7-15-6-5-9(14-15)11(13)16/h1-6H,7H2,(H2,13,16).
What are the key properties of 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 251.67 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4773972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).