2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide

C13H14ClN3O3 — CID 19507070

IUPAC2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1ccnn1COc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O3/c14-10-3-1-2-4-12(10)20-9-17-11(5-6-16-17)13(19)15-7-8-18/h1-6,18H,7-9H2,(H,15,19)
InChIKeyRHTMYWSWVRZATL-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.30
Rot. Bonds6

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

2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 19507070) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID19507070
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESO=C(NCCO)c1ccnn1COc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O3/c14-10-3-1-2-4-12(10)20-9-17-11(5-6-16-17)13(19)15-7-8-18/h1-6,18H,7-9H2,(H,15,19)
InChIKeyRHTMYWSWVRZATL-UHFFFAOYSA-N
XLogP1.30
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19507154
2-[(2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19507080
N-(5-bromo-2-pyridinyl)-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507012
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19506994
2-[(2-chlorophenoxy)methyl]-N-(4-ethoxyphenyl)pyrazole-3-carboxamide
CID 19507055
2-[(2-chlorophenoxy)methyl]-N-[4-(diethylamino)phenyl]pyrazole-3-carboxamide
CID 19507003
2-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19507182
2-[(2-chlorophenoxy)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507277
2-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478731
2-[(2-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19507288
2-[(2-chlorophenoxy)methyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]pyrazole-3-carboxamide
CID 19507015
2-[(2-chlorophenoxy)methyl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19507133

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 19507070) is 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide is O=C(NCCO)c1ccnn1COc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is RHTMYWSWVRZATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-10-3-1-2-4-12(10)20-9-17-11(5-6-16-17)13(19)15-7-8-18/h1-6,18H,7-9H2,(H,15,19).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide?
2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19507070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).