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

C17H18ClN5O2 — CID 19294663

IUPAC1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nccc1CNC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H18ClN5O2/c1-2-23-13(7-9-20-23)11-19-17(24)15-8-10-22(21-15)12-25-16-6-4-3-5-14(16)18/h3-10H,2,11-12H2,1H3,(H,19,24)
InChIKeyNINAPFOSVVWTDL-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.72
Rot. Bonds7

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

1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19294663) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID19294663
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1nccc1CNC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H18ClN5O2/c1-2-23-13(7-9-20-23)11-19-17(24)15-8-10-22(21-15)12-25-16-6-4-3-5-14(16)18/h3-10H,2,11-12H2,1H3,(H,19,24)
InChIKeyNINAPFOSVVWTDL-UHFFFAOYSA-N
XLogP2.72
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296849
1-[(3-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294711
1-[(2-chlorophenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19265151
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296854
1-[(2-chlorophenoxy)methyl]-N-octadecylpyrazole-3-carboxamide
CID 19265104
N-[(2-methylpyrazol-3-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271134
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296859
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19322885
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278351
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
1-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4867001
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 19294663) is 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is CCn1nccc1CNC(=O)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is NINAPFOSVVWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-2-23-13(7-9-20-23)11-19-17(24)15-8-10-22(21-15)12-25-16-6-4-3-5-14(16)18/h3-10H,2,11-12H2,1H3,(H,19,24).
What are the key properties of 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19294663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).