2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide

C17H20ClN3O2 — CID 121016977

IUPAC2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C17H20ClN3O2/c18-16-7-2-1-5-13(16)9-17(22)20-14-10-19-21(11-14)12-15-6-3-4-8-23-15/h1-2,5,7,10-11,15H,3-4,6,8-9,12H2,(H,20,22)
InChIKeyOYGXNRLQIJEVIP-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.29
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide

2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 121016977) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID121016977
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C17H20ClN3O2/c18-16-7-2-1-5-13(16)9-17(22)20-14-10-19-21(11-14)12-15-6-3-4-8-23-15/h1-2,5,7,10-11,15H,3-4,6,8-9,12H2,(H,20,22)
InChIKeyOYGXNRLQIJEVIP-UHFFFAOYSA-N
XLogP3.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770
2-(1H-indol-3-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129356151
2-(1H-indol-3-yl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 119099720
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121145309
4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
CID 121145130
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 94811903
2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354441
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 119099765
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide (CID 121016977) is 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is OYGXNRLQIJEVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-16-7-2-1-5-13(16)9-17(22)20-14-10-19-21(11-14)12-15-6-3-4-8-23-15/h1-2,5,7,10-11,15H,3-4,6,8-9,12H2,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide?
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 121016977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).