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

C16H18ClN3O3 — CID 19506994

IUPAC2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnn1COc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3/c17-13-5-1-2-6-15(13)23-11-20-14(7-8-19-20)16(21)18-10-12-4-3-9-22-12/h1-2,5-8,12H,3-4,9-11H2,(H,18,21)
InChIKeyRWMUFEPZOVKAOB-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.48
Rot. Bonds6

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

2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19506994) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID19506994
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccnn1COc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O3/c17-13-5-1-2-6-15(13)23-11-20-14(7-8-19-20)16(21)18-10-12-4-3-9-22-12/h1-2,5-8,12H,3-4,9-11H2,(H,18,21)
InChIKeyRWMUFEPZOVKAOB-UHFFFAOYSA-N
XLogP2.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938
3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94087930
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
2-[(2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19507080
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 19503006
1-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 18160340
2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109167534
2-[(2-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19507154
2-[(4-chlorophenyl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 16547670
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 19506994) is 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is O=C(NCC1CCCO1)c1ccnn1COc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is RWMUFEPZOVKAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-13-5-1-2-6-15(13)23-11-20-14(7-8-19-20)16(21)18-10-12-4-3-9-22-12/h1-2,5-8,12H,3-4,9-11H2,(H,18,21).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19506994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).